Pitt | Swanson Engineering
Johnson, J Karl
Chem/Petroleum Engineering

PhD in Chemical Engineering, Cornell University, 1992

MS in Chemical Engineering, Brigham Young University, 1987

BS in Chemical Engineering, Brigham Young University, 1985

Carbon dioxide capture

Catalytic hydrogenation of carbon dioxide

Gas Adsorption on Metallic and Semiconducting Single-Walled Carbon Nanotubes

Gas Separation with Porous Carbon Nanotubes

Modeling Catalytic Nanoparticles on Amorphous Supports

Reactions of Water with Sodium Borohydride

Reactive Force Field for Cobalt

(2013) Total Citations:7792.

(2013) h-index: 46.

(2008) DOE Hydrogen Program R & D Award - "In Recognition of Outstanding Contributions to Hydrogen Storage Technologies".

(1998) Gave an invited talk at the Fourth Annual Teaching Excellence Conference at the University of Pittsburgh.

(1998) Honda Initiation Grant Recipient.

(1997) Instructional Software Development Program Award from the Instructional Technology Working Group, 1997. This award provided support for developing the ENGR 1830 course on Web-Based Interactive Tutorial Design.

(1997) NSF CAREER Award, 1997. This award is based partly on a detailed plan for integrating teaching and research. To quote from a review of the proposal "The PI was especially lauded for his dedication to education. The novelty of his Web-based approach to .

(1997) National Science Foundation CAREER Award Recipient.

(1991) Samuel I. Hyman Scholarship.

(1990) Samuel I. Hyman Scholarship.

(1987) Mobil Foundation Fellowship.

(1987) Sigma Xi Award for Outstanding M.S. thesis, College of Engineering.

Honor Society of Phi Kappa Phi.

Chan, W., Chen, H., Surapathi, A., Taylor, M.G., Marand, E., Shao, X., and Johnson, J.K., 2012, "Zwitterion Functionalized CNT-Polyamide Nanocomposite Membranes for Water Desalination," Proceedings of the National Academy of Sciences, Manuscript submitted for publication.

Ewing, C.S., Hartmann, M.J., Martin, K.R., Musto, A.M., Padinjarekutt, S.J., Weiss, E.M., Veser, G., McCarthy, J.J., Johnson, J.K., and Lambrecht, D.S., 2015, "Structural and electronic properties of Pt13 nanoclusters on amorphous silica supports," Journal of Physical Chemistry C, vol.119, no.5, pp. 2503-2512.

Chan, W., Chen, H., Surapathi, A., Taylor, M.G., Marand, E., Shao, X., and Johnson, J.K., 2014, "Zwitterion Functionalized Carbon Nanotube/Polyamide Nanocomposite Membranes for Water Desalination," ACS Nano, no.7, pp. 5308-5319.

Chen, D., Wang, N., Wang, F., Xie, J., and Zhong, Y., 2014, "Utilizing Gate-Opening Mechanism in ZIF-7 for Adsorption Discrimination between N2O and CO2," Journal of Physical Chemistry C, no.118, pp. 17831-17837.

Ewing, C.S., Bhavsar, S.K., Veser, G., McCarthy, J.J., and Johnson, J.K., 2014, "Accurate amorphous silica surface models from first-principles thermodynamics of surface dehydroxylation," Langmuir, vol.30, no.18, pp. 5133-5141.

Hu, Z., Shao, X., Wang, D., Liu, L., and Johnson, J.K., 2014, "A first-principles study of lithium-decorated hybrid boron nitride and graphene domains for hydrogen storage," Journal of Chemical Physics, no.141, p. 084711.

Li, P., Henkelman, G.A., Keith, J.A., and Johnson, J.K., 2014, "Elucidation of aqueous solvent-mediated hydrogen-transfer reactions by ab initio molecular dynamics and nudged elastic-band studies of NaBH4 hydrolysis," Journal of Physical Chemistry C, vol.118, no.37, pp. 21385-21399.

Perry, R.J., Genovese, S.E., Farnum, R.L., Sultanova, I., Perry, T.M., O'Brien, M.J., Xie, H., Chen, D., Enick, R.M., Johnson, J.K., and Alshahrani, S., 2014, "A combined experimental and computational study on selected physical properties of amino silicones," Industrial & Engineering Chemistry Research, no.53, pp. 1334-1341.

Zhang, B., van Duin, A.C., and Johnson, J.K., 2014, "Development of a ReaxFF Reactive Force Field for Tetrabutylphosphonium Glycinate/CO2 Mixtures," Journal of Physical Chemistry B, no.118, pp. 12008-12016.

Chen, D., Mandeltort, L., Saidi, W.A., Yates, J.T., Cole, M.W., and Johnson, J.K., 2013, "Is there a difference in van der Waals interactions between rare gas atoms adsorbed on metallic and semiconducting single walled carbon nanotubes?," Physical Review Letters, no.110.

Culp, J.T., Chen, D., Liu, J., Chirdon, D., Goodman, A., and Johnson, J.K., 2013, "Effect of Spin Crossover Induced Pore Contraction on CO2-Host Interactions in the Porous Coordination Polymers Fe(Pyrazine)M(CN)4 (M = Ni, Pt)," European Journal of Inorganic Chemistry, vol.4, pp. 511-519.

Li, P., Matthews, M.A., Saidi, W.A., and Johnson, J.K., 2013, "Deliquescence of NaBH4 from Density Functional Theory and Experiments," Industrial & Engineering Chemistry Research, no.52, pp. 13849-13861.

Li, T., Sullivan, J.E., Chen, D., Kozlowski, M.T., Johnson, J.K., and Rosi, N.L., 2013, "Systematic Modulation and Enhancement of CO2:N2 Selectivity and Water Stability in an Isoreticular Series of Bio-MOF-11 Analogues," Chemical Science, no.4, pp. 1746-1755.

Mandeltort, L., Chen, D., Saidi, W.A., Cole, M.W., Johnson, J.K., and Yates, J.T., 2013, "Experimental and Theoretical Comparison of Gas Desorption Energies on Metallic and Semiconducting Single Walled Carbon Nanotubes," Journal of the American Chemical Society, no.135, pp. 7768-7776.

Surapathi, A., Chen, H., Marand, E., and Johnson, J.K., 2013, "Gas Sorption Properties of Zwitterion-Functionalized Carbon Nanotubes," Journal of Membrane Science, pp. 88-94.

Zhang, B., and Johnson, J.K., 2013, "Properties of Weakly Bound Molecular Oxygen on the Rutile TiO2(110) Surface from Density Functional Theory," Journal of Physical Chemistry C, no.117, pp. 17151-17158.

Bucior, B.J., Chen, D., Liu, J., and Johnson, J.K., 2012, "Porous Carbon Nanotube Membranes for Separation of H2/CH4 and CO2/CH4 mixtures," Journal of Physical Chemistry C, no.116, pp. 25904-25910.

Chen, D., Al-Saidi, W.A., and Johnson, J.K., 2012, "The role of van der Waals interactions in the adsorption of noble gases on metal surfaces," Journal of Physics: Condensed Matter.

Duan, Y., Zhang, B., Sorsecu, D.C., Johnson, J.K., Majzoub, E.H., and Luebke, D.R., 2012, "Density functional theory studies on the electronic, structural, phonon dynamical and thermo-stability properties of bicarbonates MHCO3, M=Li, Na, K," Journal of Physics: Condensed Matter.

Mandeltort, L., Choudhury, P., Johnson, J.K., and Yates, J.T., 2012, "Methyl Radical Reactivity on the Basal Plane of Graphite," Journal of Physical Chemistry C.

Mandeltort, L., Choudhury, P., Johnson, J.K., and Yates, J.T., 2012, "Reaction of the Basal Plane of Graphite with the Methyl Radical," Journal of Physical Chemistry Letters, pp. 1680-1683.

Zhang, B., Duan, Y., and Johnson, J.K., 2012, "Density Functional Theory Study of CO2 Capture with Transition Metal Oxides and Hydroxides," Journal Chemical Physics, dx.doi.org/10.1063/1.3684901.

Beaird, A.M., Li, P., Marsh, H.S., Al-Saidi, W.A., Johnson, J.K., Matthews, M.A., and Williams, C.T., 2011, "Thermal Dehydration and Vibrational Spectra of Hydrated Sodium Metaborates," Industrial & Engineering Chemistry Research, pp. 7746-7752.

Buttner, M., Choudhury, P., Johnson, J.K., and Yates, J.T., 2011, "Vacancy clusters as entry ports for cesium intercalation in graphite," Carbon, pp. 3937-3952.

Chen, D., Al-Saidi, W.A., and Johnson, J.K., 2011, "Noble Gases on Metal Surfaces: New Insights on Adsorption Site Preference," Physical Review B.

Choudhury, P., and Johnson, J.K., 2011, "Methyl Chloride Reactions on Lithiated Carbon Nanotubes: Lithium as Both Reactant and Catalyst," Journal of Physical Chemistry C.

Duan, Y., Zhang, B., Sorescu, D.C., and Johnson, J.K., 2011, "CO2 Capture Properties of M-C-O-H (M=Li, Na, K) Systems: a Combined Density Functional Theory and Lattice Phonon Dynamics Study," Journal of Solid State Chemistry, pp. 304-311.

Hao, S., Rankin, R.B., Johnson, J.K., and Sholl, D.S., 2011, "Surface Reactions of AsH3, H2Se, and H2S on the Zn2TiO4(010) surface," Surface Science, pp. 818-823.

Kim, K.C., Kulkarni, A.D., Johnson, J.K., and Sholl, D.S., 2011, "Examining the robustness of first-principles calculations for metal hydride reaction thermodynamics by detection of metastable reaction pathways," Physical Chemistry Chemical Physics.

Kim, K.C., Kulkarni, A.D., Johnson, J.K., and Sholl, D.S., 2011, "Large-scale screening of promising metal hydrides for hydrogen storage system from first-principles calculations based on equilibrium reaction thermodynamics," PhysChemChemPhys, pp. 7218-7229.

Liu, J., Keskin, S., Sholl, D.S., and Johnson, J.K., 2011, "Molecular Simulations and Theoretical Predictions for Adsorption and Diffusion of CH4/H2 and CO2/CH4 Mixtures in ZIF-68 and ZIF-70," Journal of Physical Chemistry C.

Liu, J., Lee, J.Y., Obermyer, R.T., Simizu, S., Zande, B., Sankar, S.G., Li, J., and Johnson, J.K., 2011, "One dimensional adsorption and diffusion in Zn(tbip)," Molecular Simulation, pp. 640-646.

Marand, E., Surapathi, A., Johnson, J.K., Kumar, P., and Shankar, C., 2011, "Review: Nanofluidic and Gas Transport in Carbon Nanotube Membranes," in Advanced Membrane Materials for Membrane Preparation, M.G. Buonomenna, and G. Golemme, eds., Bentham Science Publishers.

Miller, M.B., Chen, D., Luebke, D.R., Johnson, J.K., and Enick, R.M., 2011, "Critical assessment of CO2 solubility in volatile solvents at 25ºC," J. Chem. Eng. Data, pp. 1565-1572.

Xie, H., Johnson, J.K., Perry, R.J., Genovese, S., and Wood, B.R., 2011, "A Computational Study of the Heats of Reaction of Substituted Monoethanolamine with CO2," Journal of Physical Chemistry A, pp. 342-350.

Chen, D., Stern, A.C., Space, B., and Johnson, J.K., 2010, "Atomic Charges Derived from Electrostatic Potentials for Molecular and Periodic Systems," Journal of Physical Chemistry C, pp. 201010225-10233.

Garberoglio, G., and Johnson, J.K., 2010, "Hydrogen Isotope Separation in Carbon Nanotubes: Calculation of Coupled Rotational and Translational States at High Densities," ACSNano.

Kulkarni, A.D., Wang, L., Johnson, D.D., Sholl, D.S., and Johnson, J.K., 2010, "First-Principles Characterization of Amorphous Phases of MB12H12, M=Mg, Ca," Journal of Physical Chemistry C, pp. 14601-14605.

LaBrosse, M.R., and Johnson, J.K., 2010, "Defect and Non-Defect Interstitial Channel Availability in Carbon Nanotube Bundles: Comparison of Modeling with Experiments," Journal of Physical Chemistry C, pp. 7602-7610.

LaBrosse, M.R., Chen, L., and Johnson, J.K., 2010, "First Principles Study of Vacancy and Tungsten Diffusion in fcc Cobalt," Modelling and Simulation in Materials Science and Engineering.

LaBrosse, M.R., Johnson, J.K., and van Duin, A.C., 2010, "Development of a Transferable Reactive Force Field for Cobalt," Journal of Physical Chemistry A.

Mandeltort, L., Buttner, M., Yates, J.T., Choudhury, P., Xiao, L., and Johnson, J.K., 2010, "Carbon-Chlorine Bond Scission in Li-Doped Single-Walled Carbon Nanotubes: Reaction of CH3Cl and Lithium," Journal of Physical Chemistry C, pp. 17148-17158.

Perry, R.J., Grocela-Rocha, T.A., O'Brien, M.J., Genovese, S., Wood, B.R., Lewis, L.N., Lam, H., Soloveichik, G., Rubinsztajn, M., Kniajanski, S., Draper, S., Enick, R.M., Johnson, J.K., Xie, H., and Tapriyal, D., 2010, "Novel Aminosilicone Solvents for CO2 Capture," ChemSusChem, pp. 919-930.

Xie, H., Zhou, Y., Zhang, Y., and Johnson, J.K., 2010, "Reaction Mechanism of Monoethanolamine with CO2 in Aqueous Solution from Molecular Modeling," Journal of Physical Chemistry A, pp. 11844-11852.

Buttner, M., Xiao, L., Mandeltort, L., Edington, S., Johnson, J.K., and Yates, J.T., 2009, "Enhancement of Adsorption Inside Single Walled Carbon Nanotubes--Li Doping Effect on n-Heptane van der Waals Bonding," J. Phys. Chem. C.

Feldman, J.L., Johnson, J.K., and Hemley, R.J., 2009, "Vibron Hopping and Bond Anharmonicity in Hot Dense Hydrogen," Journal of Chemical Physics.

Keskin, S., Liu, J., Johnson, J.K., and Sholl, D.S., 2009, "Atomically detailed models of gas mixture diffusion through CuBTC membranes," Microporous and Mesoporous Materials, pp. 101-106.

Keskin, S., Liu, J., Rankin, R.B., Johnson, J.K., and Sholl, D.S., 2009, "Progress, Opportunities, and Challenges for Applying Atomically-detailed Modeling to Molecular Adsorption and Transport in Metal-Organic Framework Materials," Ind. Eng. Chem. Res.

Kilic, S., Wang, Y., Johnson, J.K., Beckman, E.J., and Enick, R.M., 2009, "Influence of Tert-Amine Groups on the Solubility of Polymers in CO2," Polymer.

Kim, K.C., Dai, B., Johnson, J.K., and Sholl, D.S., 2009, "Assessing nanoparticle size effects on metal hydride thermodynamics using the Wulff construction," Nanotechnology.

Liu, J., and Johnson, J.K., 2009, "Prediction of CH4/H2 Mixture Selectivity in Zn(tbip) from Computer Simulations," Journal of Low Temperature Physics, pp. 268-276.

Liu, J., Rankin, R.B., and Johnson, J.K., 2009, "The importance of charge-quadrupole interactions for H2 adsorption and diffusion in CuBTC," Molecular Simulation, pp. 60-69.

Lueking, A.D., Kim, H., Jagiello, J., Bancroft, K., Johnson, J.K., and Cole, M., 2009, "Tests of pore-size distributions deduced from inversion of simulated and real adsorption data," Journal of Low Temperature Physics, pp. 410-428.

Miller, M.B., Chen, D., Xie, H., Johnson, J.K., and Enick, R.M., 2009, "Solubility of CO2 in CO2-philic Oligomers; COSMOtherm Predictions and Experimental Results," Fluid Phase Equilibria, pp. 26-32.

Rankin, R.B., Liu, J., Kulkarni, A.D., and Johnson, J.K., 2009, "Adsorption and Diffusion of Light Gases in ZIF-68 and ZIF-70: A Simulation Study," J. Phys. Chem. C.

Wang, Y., Hong, L., Kim, I., Paik, I., Crosthwaite, J.M., Hamilton, A.D., Thies, M.C., Beckman, E.J., Enick, R.M., and Johnson, J.K., 2009, "Design and Evaluation of Non-fluorous CO2-Soluble Polymers," Journal of Physical Chemistry B.

Yim, W., and Johnson, J.K., 2009, "Ozone Oxidation of Single Walled Carbon Nanotubes from Density Functional Theory," J. Phys. Chem. C.

Alapati, S.V., Johnson, J.K., and Sholl, D.S., 2008, "Large-Scale Screening of Metal Hydride Mixtures for High-Capacity Hydrogen Storage from First-Principles Calculations," Journal of Physical Chemistry C.

Calbi, M.M., Cole, M.W., Gatica, S.M., Bojan, M.J., and Johnson, J.K., 2008, "Adsorbed gases in bundles of carbon nanotubes: theory and simulation," in Adsorption by Carbons, E.J. Bottani, and J.M. Tascon, eds., Elsevier Science Publishing.

Dai, B., Rankin, R.B., Johnson, J.K., Allendorf, M.D., Sholl, D.S., Zarkevich, N.A., and Johnson, D.D., 2008, "Influence of Surface Reactions on Complex Hydride Reversibility," Journal of Physical Chemistry C.

Dai, B., Sholl, D.S., and Johnson, J.K., 2008, "First Principles Study of Experimental and Hypothetical Mg(BH4)2 Crystal Structures," Journal of Physical Chemistry C.

Johnson, J.K., and Cole, M.W., 2008, "Hydrogen Adsorption in Single-Walled Carbon Nanotubes," in Adsorption by Carbons, E.J. Bottani, and J.M. Tascon, eds., Elsevier Science Publishing.

Keskin, S., Liu, J., Johnson, J.K., and Sholl, D.S., 2008, "Testing the Accuracy of Correlations for Multi-component Mass Transport of Adsorbed Gases in Metal Organic Frameworks: Diffusion of H2/CH4 Mixtures in CuBTC," Langmuir.

Kim, H., Lueking, A.D., Gatica, S.M., Johnson, J.K., and Cole, M.W., 2008, "A Corresponding States Principle for Physisorption and Deviations for Quantum Fluids," Molecular Physics.

LaBrosse, M.R., Shi, W., and Johnson, J.K., 2008, "Adsorption of Gases in Carbon Nanotubes: Are Defect Interstitial Sites Important?," Langmuir.

Liu, J., Lee, J.Y., Pan, L., Obermyer, R.T., Simizu, S., Zande, B., Li, J., Sankar, S.G., and Johnson, J.K., 2008, "Adsorption and Diffusion of Hydrogen in a New Metal-Organic Framework Material: [Zn(bdc)(ted)0.5]," Journal of Physical Chemistry C.

Rankin, R.B., Campos, A., Tian, H., Siriwardane, R., Roy, A., Spivey, J.J., Sholl, D.S., and Johnson, J.K., 2008, "Characterization of Bulk Structure in Zinc Orthotitanate: A Density Functional Theory and EXAFS Investigation," J. Am. Ceram. Soc.

Rankin, R.B., Hao, S., Sholl, D.S., and Johnson, J.K., 2008, "DFT Characterization of Adsorption and Diffusion Mechanisms of H, As, S, and Se on the Zinc Orthotitanate (010) Surface," Surface Science.

Rankin, R.B., Sholl, D.S., and Johnson, J.K., 2008, "Density functional theory calculations of the surface structure of the inverse spinel zinc orthotitanate," Journal of Physics: Condensed Matter.

Tapriyal, D., Wang, Y., Enick, R.M., Johnson, J.K., Crosthwaite, J., Thies, M.C., Paik, I.H., and Hamilton, A.D., 2008, "Poly(vinyl acetate), Poly((1-O-(vinyloxy) ethyl-2,3,4,6-tetra-O-acetyl-ß-D-glucopyranoside) and Amorphous Poly(lactic acid) are the Most CO2-soluble Oxygenated Hydrocarbon-Based Polymers," Journal of Supercritical Fluids, pp. 252-257.

Turner, C.H., Brennan, J.K., Lisal, M., Smith, W.R., Johnson, J.K., and Gubbins, K.E., 2008, "Simulation of Chemical Reaction Equilibria by the Reaction Ensemble Monte Carlo Method: A Review," Molecular Simulations.

Alapati, S.V., Johnson, J.K., and Sholl, D.S., 2007, "First principles screening of destabilized metal hydrides for high capacity H2 storage using scandium," Journal of Alloys and Compounds.

Alapati, S.V., Johnson, J.K., and Sholl, D.S., 2007, "Predicting Reaction Equilibria for Destabilized Metal Hydride Decomposition Reactions for Reversible Hydrogen Storage," Journal of Physical Chemistry C.

Alapati, S.V., Johnson, J.K., and Sholl, D.S., 2007, "Stability analysis of doped materials for reversible hydrogen storage in destabilized metal hydrides," Physical Review B.

Alapati, S.V., Johnson, J.K., and Sholl, D.S., 2007, "Using First Principles Calculations To Identify New Destabilized Metal Hydride Reactions for Reversible Hydrogen Storage," Phys. Chem. Chem. Phys.

Dai, B., Sholl, D.S., and Johnson, J.K., 2007, "First Principles Investigation of Adsorption and Dissociation of Hydrogen on Mg2Si Surfaces," Journal of Physical Chemistry C.

Kilic, S., Michalik, S., Wang, Y., Johnson, J.K., Enick, R.M., and Beckman, E.J., 2007, "Phase Behavior of Oxygen-Containing Polymers in CO2," Macromolecules, pp. 1332-1341.

Kim, S., Chen, L., Johnson, J.K., and Marand, E., 2007, "Polysulfone and Functionalized Carbon Nanotube Mixed Matrix Membranes for Gas Separation: Theory and Experiment," Journal of Membrane Science.

Liu, J., Culp, J.T., Natesakhawat, S., Bockrath, B.C., Zande, B., Sankar, S.G., Garberoglio, G., and Johnson, J.K., 2007, "Experimental and Theoretical Studies of Gas Adsorption in Cu3(BTC)2: An Effective Activation Procedure," Journal of Physical Chemistry C.

Rosenbaum, E.J., English, N.J., Johnson, J.K., Shaw, D.W., and Warzinski, R.P., 2007, "Thermal Conductivity of Methane Hydrate from Experiment and Molecular Simulation," Journal of Physical Chemistry B.

Zhao, X., and Johnson, J.K., 2007, "Adsorption of DNA on a carbon nanotube," Journal of the American Chemical Society.

Alapati, S.V., Johnson, J.K., and Sholl, D.S., 2006, "Identification of Destabilized Metal Hydrides for Hydrogen Storage Using First Principles Calculations," Journal of Physical Chemistry B.

Byl, O., Liu, J., Wang, Y., Yim, W., Johnson, J.K., and Yates, J.T., 2006, "Unusual Hydrogen Bonding in Water-filled Carbon Nanotubes," Journal of the American Chemical Society.

Chen, H., Johnson, J.K., and Sholl, D.S., 2006, "Transport Diffusion of Gases Is Rapid In Flexible Carbon Nanotubes," Journal of Physical Chemistry B.

Chen, L., Sholl, D.S., and Johnson, J.K., 2006, "First Principles Study of Adsorption and Dissociation of CO on W(111)," Journal of Physical Chemistry B.

English, N.J., Sorescu, D.C., and Johnson, J.K., 2006, "Effects of an external electromagnetic field on rutile TiO2: a molecular dynamics study," Journal of Physics and Chemistry of Solids.

Kim, S., Byl, O., Liu, J., Johnson, J.K., and Yates, J.T., 2006, "Spectroscopic Measurement of Diffusion Kinetics Through Subnanometer and Larger Al2O3 Particles by a New Method--The Interaction of 2-chloroethylethyl sulfide with ¿-Al2O3," Journal of Physical Chemistry B.

Lee, J., Hong, S., Ahner, J., Zhao, X., Chen, L., Johnson, J.K., and Yates, J.T., 2006, "Direct Observation of Molecularly-aligned Molecules in the Second Physisorbed Layer-CO/Ag(110)," Chemical Physics Letters.

Sholl, D.S., and Johnson, J.K., 2006, "Making High-Flux Membranes with Carbon Nanotubes," Science.

Skoulidas, A.I., Sholl, D.S., and Johnson, J.K., 2006, "Adsorption and diffusion of carbon dioxide and nitrogen through single-walled carbon nanotube membranes," J. Chem. Phys.

Chen, L., and Johnson, J.K., 2005, "CO2 adsorbed on nanotube bundles: A quasi-one-dimensional phase," Phys. Rev. Lett.

English, N.J., Johnson, J.K., and Taylor, C.E., 2005, "Molecular dynamics simulations of methane hydrate dissociation," J. Chem. Phys.

Fan, X., Potluri, V.K., Mcleod, M.C., Wang, Y., Liu, J., Enick, R.M., Hamilton, A.D., Roberts, C.B., Johnson, J.K., and Beckman, E.J., 2005, "Oxygenated Hydrocarbon Ionic Surfactants Exhibit CO2 Solubility," Journal of the American Chemical Society.

Garberoglio, G., DeKlavon, M.M., and Johnson, J.K., 2005, "Quantum sieving in single walled Carbon nanotubes: effect of interaction potential and rotational-translational coupling," Journal of Physical Chemistry B.

Garberoglio, G., Skoulidas, A.I., and Johnson, J.K., 2005, "Adsorption of gases in metal organic materials: Comparison of simulations and experiments," Journal of Physical Chemistry B.

Kondratyuk, P., Wang, Y., Johnson, J.K., and Yates, J.T., 2005, "Observation of a One-Dimensional Adsorption Site on Carbon Nanotubes: Adsorption of Alkanes of Different Molecular Lengths," Journal of Physical Chemistry B.

Yim, W., Byl, O., Yates, J.T., and Johnson, J.K., 2005, "Dimensional Effects on the LO-TO Splitting in CF4: First-Principles and Infrared Absorption Studies," Journal of the American Chemical Society.

Zhao, X., and Johnson, J.K., 2005, "An effective potential for adsorption of polar molecules on graphite," Molecular Simulations.

Baradie, B., Shoichet, M.S., Shen, Z., McHugh, M., Hong, L., Wang, Y., Johnson, J.K., Beckman, E.J., and Enick, R.M., 2004, "The Synthesis and Solubility of Linear Poly(tetrafluoroethylene-co-vinyl acetate) in Dense CO2: Experimental and Molecular Modeling Results," Macromolecules.

Gatica, S.M., Zhao, X.C., Johnson, J.K., and Cole, M.W., 2004, "Wetting transision of water on graphite and other surfaces," J. Phys. Chem. B.

Johnson, J.K., 2004, "Hydrogen Adsorption in Nanoporous Carbons," Proceedings of Computation, Modeling, and Simulation of Materials.

Matranga, C., Chen, L., Bockrath, B., and Johnson, J.K., 2004, "Displacement of CO2 by Xe in single-walled carbon nanotube bundles," Phys. Rev. B.

Pan, L., Sander, M.B., Huang, X., Li, J., Smith, M., Bittner, E., Bockrath, B., and Johnson, J.K., 2004, "Microporous Metal Organic Materials: Promising Candidates as Sorbents for Hydrogen Storage," Journal of the American Chemical Society.

Yim, W., Byl, O., Yates, J.T., and Johnson, J.K., 2004, "Vibrational Behavior of Adsorbed CO2 on Single-Walled Carbon Nanotubes," Journal of Chemical Physics.

Zhao, X., Johnson, J.K., and Rasmussen, C.E., 2004, "Surface tension of quantum fluids from molecular simulations," J. Chem. Phys..

Ackerman, D.M., Skoulidas, A.I., Sholl, D.S., and Johnson, J.K., 2003, "Diffusivities of Ar and Ne in Carbon Nanotubes," Molecular Simulation.

Byl, O., Kondratyuk, P., Forth, S., FitzGerald, S., Yates, J.T., Chen, L., and Johnson, J.K., 2003, "Adsorption of CF4 on Internal and External Walls of Opened Single Walled Carbon Nanotubes - A Vibrational Spectroscopy Study," Journal of the American Chemical Society.

Kilic, S., Michalik, S., Wang, Y., Johnson, J.K., Enick, R.M., and Beckman, E.J., 2003, "Effect of Grafted Lewis Base Groups on the Phase Behavior of Model Poly(dimethyl siloxanes) in CO2," Ind. Eng. Chem. Res..

Matranga, C., Chen, L., Smith, M., Bittner, E., Johnson, J.K., and Bockrath, B., 2003, "Trapped CO2 in Carbon Nanotube Bundles," J. Phys. Chem.

Shi, W., and Johnson, J.K., 2003, "Gas adsorption on heterogeneous single-walled carbon nanotube bundles," Physical Review Letters.

Shi, W., Johnson, J.K., and Cole, M., 2003, "Wetting transitions of hydrogen and deuterium on the surface of alkali metals," Physical Review B.

Smith, M.R., Bittner, E.W., Shi, W., Johnson, J.K., and Bockrath, B.C., 2003, "Chemical Activation of Single-walled Carbon Nanotubes for Hydrogen Adsorption," Journal of Physical Chemistry B.

Bockrath, B., Johnson, J.K., and Sholl, D.S., 2002, "Igniting nanotubes with a flash," Science.

Challa, S.R., Sholl, D.S., and Johnson, J.K., 2002, "Adsorption and Separation of Hydrogen Isotopes in Carbon Nanotubes: Multicomponent Grand Canonical Monte Carlo Simulations," Journal of Chemical Physics.

Kwon, S., Russell, J., Zhao, X., Vidic, R., Johnson, J.K., and Borguet, E., 2002, "A Combined Experimental and Theoretical Investigation of Polar Organic adsorption/Desorption from Model Carbonaceous Surfaces; Acetone on Graphite," Langmiur.

Shi, W., Zhao, X., and Johnson, J.K., 2002, "Phase Transitions of Adsorbed Fluids Computed from Multiple Histogram Reweighting," Molecular Physics.

Simonyan, V.V., and Johnson, J.K., 2002, "Hydrogen Storage in Carbon Nanotubes and Graphitic Nanofibers," Journal of Alloys and Compounds.

Skoulidas, A.I., Ackerman, D.M., Johnson, J.K., and Sholl, D.S., 2002, "Rapid Transport of Gases in Carbon Nanotubes," Physical Review Letters.

Turner, C.H., Brennan, J.K., Johnson, J.K., and Gubbins, K.E., 2002, "Effect of confinement by porous materials on chemical reaction kinetics," Journal of Chemical Physics.

Zhao, X., Kwon, S., Vidic, R., Borguet, E., and Johnson, J.K., 2002, "Layering and orientational ordering of propane on graphite: An experimental and simulation study," Journal of Chemical Physics.

Challa, S.R., Sholl, D.S., and Johnson, J.K., 2001, "Light isotope separation in carbon nanotubes through quantum molecular sieving," Physical Review B.

Kuznetsova, A., Yates, J.T., Simonyan, V.V., Johnson, J.K., Huffman, C.B., and Smalley, R.E., 2001, "Optimization of Xe Adsorption Kinetics in Single Walled Carbon Nanotubes," Journal of Chemical Physics.

Munro, L.J., Johnson, J.K., and Jordan, K.D., 2001, "An Interactomic Potential for Mercury Dimer," Journal of Chemical Physics.

Shi, W., and Johnson, J.K., 2001, "Histogram reweighting and finite size scaling study of the Lennard-Jones fluids," Fluid Phase Equilibria.

Simonyan, V.V., Johnson, J.K., Kuznetsova, A., and Yates, J.T., 2001, "Molecular simulation of Xe adsorption on single-walled carbon nanotubes," Journal of Chemical Physics.

Turner, C.H., Johnson, J.K., and Gubbins, K.E., 2001, "Effect of Confinement on Chemical Reaction Equilibria: The Reactions 2NO = (NO)2 and N2 + 3H2 = 2NH3," Journal of Chemical Physics.

Diep, P., and Johnson, J.K., 2000, "Accurate H2-H2 Interaction Potential from First Principles," Journal of Chemical Physics.

Gatica, S.M., Stan, G., Calbi, M.M., Johnson, J.K., and Cole, M.W., 2000, "Axial phase of quantum fluids in nanotubes," Journal of Low Temperature Physics.

Kostov, M.K., Cole, M.W., Lewis, J.C., Diep, P., and Johnson, J.K., 2000, "Many-body interactions among adsorbed atoms and molecules within carbon nanotubes and in free space," Chemical Physics Letters.

1999, "Sieves to separate hydrogen by mass," Scientific Computing World, no.45.

Challa, S.R., and Johnson, J.K., 1999, "Molar Excess Volumes of Liquid Hydrogen and Neon Mixtures from Path Integral Simulation," Journal of Chemical Physics.

Johnson, J.K., 1999, "Molecular modelling for the masses," Scientific Computing World, no.47.

Johnson, J.K., 1999, "Reactive Canonical Monte Carlo," in Monte Carlo Methods in Chemical Physics, Advances in Chemical Physics, D. Ferguson, J.L. Siepmann, and D.J. Truhlar, eds., John Wiley & Sons, Inc., New York.

Simonyan, V.V., and Johnson, J.K., 1999, "Molecular simulation of hydrogen adsorption in charged single-walled carbon nanotubes," Proceedings of the First Honda Initiation Grant Symposium.

Simonyan, V.V., Diep, P., and Johnson, J.K., 1999, "Molecular simulation of hydrogen adsorption in charged single-walled carbon nanotubes," Journal of Chemical Physics.

Wang, Q., and Johnson, J.K., 1999, "Computer Simulations of Hydrogen Adsorption on Graphitic Nanofibers," Journal of Physical Chemistry B.

Wang, Q., and Johnson, J.K., 1999, "Molecular Simulation of Hydrogen Adsorption in Single-Walled Carbon Nanotubes and Idealized Carbon Slit Pores," Journal of Chemical Physics.

Wang, Q., and Johnson, J.K., 1999, "Optimization of Carbon Nanotube Arrays for Hydrogen Adsorption," Journal of Physical Chemistry B.

Wang, Q., Challa, S.R., Sholl, D.S., and Johnson, J.K., 1999, "Quantum Sieving in Carbon Nanotubes and Zeolites," Physical Review Letters.

Bojan, M.J., Cole, M.W., Johnson, J.K., Steele, W.A., and Wang, Q., 1998, "Computer Simulation Studies of Adsorption of Simple Gases on Alkali Metal Surfaces," Journal of Low Temperature Physics.

Diep, P., Jordan, K.D., Johnson, J.K., and Beckman, E.J., 1998, "CO2-Fluorocarbon and CO2-Hydrocarbon Interactions from First Principles Calculations," Journal of Physical Chemistry A.

Wang, Q., and Johnson, J.K., 1998, "Adsorption of Hydrogen in Graphitic Slit Pores," International Journal of Thermophysics.

Wang, Q., and Johnson, J.K., 1998, "Hydrogen Adsorption on Graphite and in Carbon Slit Pores from Path Integral Simulations," Molecular Physics.

Broughton, J.Q., Lill, J.V., and Johnson, J.K., 1997, "C60 Phase Diagram. A Full Free Energy Analysis," Physical Review B.

Wang, Q., and Johnson, J.K., 1997, "Phase Equilibrium of Quantum Fluids from Simulation: Hydrogen and Neon," Fluid Phase Equilibria.

Wang, Q., Johnson, J.K., and Broughton, J.Q., 1997, "Path Integral Grand Canonical Monte Carlo," Journal of Chemical Physics.

Johnson, J.K., 1996, "Perturbation Theory and Computer Simulations for Linear and Ring Model Polymers," Journal of Chemical Physics.

Wang, Q., Johnson, J.K., and Broughton, J.Q., 1996, "Thermodynamic Properties and Phase Equilibrium of Fluid Hydrogen from Path Integral Simulations," Molecular Physics.

Johnson, J.K., 1995, "Molecular Simulation of Phase and Chemical Equilibria," AIChE Separations Division Topical Conference Preprint, vol.1.

Johnson, J.K., Davidson, B.N., Pederson, M.R., and Broughton, J.Q., 1994, "Energetics and Structure of Toroidal Forms of Carbon," Physical Review B.

Johnson, J.K., Muller, E., and Gubbins, K.E., 1994, "Equation of State for Lennard-Jones Chains," Journal of Physical Chemistry.

Johnson, J.K., Panagiotopoulos, A.Z., and Gubbins, K.E., 1994, "Reactive Canonical Monte Carlo," Molecular Physics.

Johnson, J.K., Zollweg, J.A., and Gubbins, K.E., 1993, "The Lennard-Jones Equation of State Revisited," Molecular Physics.

Johnson, J.K., and Gubbins, K.E., 1992, "Phase Equilibria for Associating Lennard-Jones Fluids from the Theory and Simulation," Molecular Physics.

Johnson, J.K., and Rowley, R.L., 1989, "Application of an Extended Lee-Kesler Corresponding-States Technique to Prediction of Vapor-Liquid Equilibria in Multicomponent Mixtures Containing Polar Components," International Journal of Thermophysics.

Johnson, J.K., and Rowley, R.L., 1989, "Prediction of Vapor-Liquid Equilibria in Binary Mixtures Containing Polar Components from an Extended Lee-Kesler Corresponding-States Technique," Fluid Phase Equilibria.

Wilding, W.V., Johnson, J.K., and Rowley, R.L., 1987, "Thermodynamic Properties and Vapor Pressures of Polar Fluids from a Four-Parameter Corresponding-States Method," International Journal of Thermophysics.

Bucior, B., Liu, J., Chen, D., Jiang, D., and Johnson, J.K., 2012, "Using Porous Carbon Nanotube Membranes for Separation of CH4/CO2 and CH4/H2 Mixtures," AIChE Annual Meeting, Pittsburgh, PA.

Chen, D., and Johnson, J.K., 2012, "Porphyrinic Metal-Organic Framework As Catalyst for Styrene Epoxidation Reaction: A First Principles Study," AIChE Annual Meeting, Pittsburgh, PA.

Chen, H., Chen, W.F., Surapathi, A., Marand, E., Johnson, J.K., Chen, D., and Shao, X., 2012, "Carbon Nanotube-Polyamide Nanocomposite Membrane for Water Desalination," AIChE Annual Meeting, Pittsburgh, PA.

Chen, H., Chen, W.F., Surapathi, A., Marand, E., Johnson, J.K., Chen, D., and Shao, X., 2012, "Nanocomposite Membranes for Water Desalination," Science2012 "First Look" Technology Showcase, University of Pittsburgh, Pittsburgh PA.

Choudhury, P., and Johnson, J.K., 2012, "Hydroxyl Functionalized Graphene: A Promising Anhydrous Proton Exchange Membrane," AIChE Annual Meeting, Pittsburgh, PA.

Choudhury, P., Johnson, J.K., Mandeltort, L., and Yates, J.T., 2012, "Chemical Reaction of ¿CH3 with the Basal Plane of Graphite," AIChE Annual Meeting, Pittsburgh, PA.

Ewing, C.S., Johnson, J.K., Mccarthy, J.J., and Veser, G., 2012, "Understanding the Effects of Synthesis and Treatment On Network Stability and Surface Chemistry of Silica," AIChE Annual Meeting, Pittsburgh, PA.

Johnson, J.K., 2012, "Molecular modeling of CO2 capture: Physical and chemical absorption and adsorption," 243rd ACS National Meeting, San Diego, California.

Johnson, J.K., 2012, "Tailored Sorbents for CO2 Capture and Utilization," CPM-6 - The 6th International Workshop on Characterization of Porous Materials: From Angstroms to Millimeters, Delray Beach, Florida.

Li, P., Johnson, J.K., and Matthews, M.A., 2012, "First-Principles Study of H2O Adsorption On the NaBH4(100) Surface," AIChE Annual Meeting, Pittsburgh, PA.

Marand, E., Surapathi, A., Chan, W.F., Chen, H., Chen, D., Shao, X., and Johnson, J.K., 2012, "CNT-polyamide nanocomposite membranes for gas and water separations," TechConnect World Nanotech Conference & Expo, Santa Clara, CA.

Taylor, M., Chan, W.F., Chen, H., Surapathi, A., Marand, E., and Johnson, J.K., 2012, "Zwitterion-Functionalized CNTs for Efficient Desalination," AIChE Annual Meeting, Pittsburgh, PA.

Zhang, B., van Duin, A.C., and Johnson, J.K., 2012, "Development of Reaxff Force Field for Carbon Dioxide Capture with Ionic Liquids: A Combined First Principles and Classical Simulation," AIChE Annual Meeting, Pittsburgh, PA.

Zhang, B., van Duin, A.C., and Johnson, J.K., 2012, "Development of Reaxff Force Field for Carbon Dioxide Capture with Ionic Liquids: A Combined First Principles and Classical Simulation," Pittsburgh Coal Conference, Pittsburgh, PA.

Bo, Z., van Duin, A.C., and Johnson, J.K., 2011, "First Principles and Classical Simulations of Ionic Liquids for Carbon Dioxide Capture," AIChE Annual Meeting, Minneapolis, MN.

Chen, D., Al-Saidi, W.A., and Johnson, J.K., 2011, "Noble Gases On Metal Surfaces: New Insights On Adsorption Site Preference," AIChE Annual Meeting, Minneapolis, MN.

Chen, D., A-Saidi, W., and Johnson, J.K., 2011, "Noble gas adsorption on carbon nanotubes: insight from a van der Waals density functional study," APS March Meeting, Dallas, TX.

Chen, D., Kauffman, K., Matranga, C., Lewis, J.P., and Johnson, J.K., 2011, "Adsorption and Reaction of Porphyrinic Metal Organic Frameworks: DFT and Simulations Study," AIChE Annual Meeting, Minneapolis, MN.

Choudhury, P., and Johnson, J.K., 2011, "Chloromethane Reactions (C--Cl Bond Scission) on Lithiated Carbon Nanotubes: Lithium as Both Reactant and Catalyst," PCCS Spring Meeting 2011, Pittsburgh, PA.

Choudhury, P., and Johnson, J.K., 2011, "Design of Advanced Sorbent Materials with Enhanced Sorption Capability and Chemical Reactivity," Adsorption at the Nanoscale: A New Frontier in Fundamental Science and Applications, University of Missouri, Columbia, MO.

Choudhury, P., and Johnson, J.K., 2011, "Proton Transport Across a Hydroxyl Functionalized Graphene Membrane," AIChE Annual Meeting, Minneapolis, MN.

Johnson, J.K., 2011, "Atomic-level Modeling of Materials for Energy and Sustainability," Mechanical Science and Engineering Seminar Series, University of Illinois at Urbana-Champaign, University of Illinois.

Johnson, J.K., 2011, "Atomistic Modeling for Science, Engineering, and Fun," Brigham Young University, Department of Chemical Engineering.

Johnson, J.K., 2011, "Energy and Sustainability: Insights from Molecular Modeling," Arizona State University, Department of Chemical Engineering.

Johnson, J.K., 2011, "Functionalized nanoporous sorbents: From entrance effects to reactive centers," Adsorption at the Nanoscale: A New Frontier in Fundamental Science and Applications, University of Missouri, Columbia, MO.

Johnson, J.K., 2011, "Modeling of Materials at the Atomic Level for Energy and Sustainability," University of Akron, Department of Chemical & Biomolecular Engineering.

Li, P., Johnson, J.K., and Matthews, M.A., 2011, "A Computational Study of Steam Hydrolysis of NaBH4," AIChE Annual Meeting, Minneapolis, MN.

Lin, J., Chen, D., Culp, J., Goodman, A., and Johnson, J.K., 2011, "Adsorption of CO2 In a Spin-Crossover Metal Coordination Polymer," AIChE Annual Meeting, Minneapolis, MN.

Liu, H., Li, P., Matthews, M.A., and Johnson, J.K., 2011, "Deliquescence Behavior of Sodium Borohydride and Steam," AIChE Annual Meeting, Minneapolis, MN.

Liu, J., and Johnson, J.K., 2011, "Novel porous carbon nanotube membranes for separation of CH4/CO2 and CH4/H2 mixtures," PA-OH-WV Simulators Meeting, Carnegie Mellon University.

Liu, J., Chen, D., Bucior, B., Jiang, D., and Johnson, J.K., 2011, "Novel Porous Carbon Nanotube Membranes for Separation of CH4/CO2 and CH4/H2 Mixtures," AIChE Annual Meeting, Minneapolis, MN.

Retnamma, R., Yu, L., Rangel, C.M., Novais, A., Johnson, J.K., and Matthews, M.A., 2011, "Kinetics of Self-Hydrolysis of Concentrated Sodium Borohydride Solutions At High Temperatures," AIChE Annual Meeting, Minneapolis, MN.

Chen, D., Al-Saidi, W.A., and Johnson, J.K., 2010, "Adsorption of Noble Gases on Metal Surfaces and CNTs," PA-OH-WV Simulators Meeting, Pittsburgh, PA.

Chen, D., Al-Saidi, W.A., and Johnson, J.K., 2010, "Noble Gas Adsorption On Carbon Nanotubes and Metal Surfaces (Pd, Pt, Cu): A Van Der Waals Density Functional Study," AIChE Annual Meeting, Salt Lake City, UT.

Choudhury, P., and Johnson, J.K., 2010, "Capturing toxic chemicals at low concentrations using lithiated SWNT: A combined experimental and theoretical study," PA-OH-WV Simulators Meeting, Pittsburgh, PA.

Choudhury, P., Xiao, L., Johnson, J.K., Mandeltort, L., Buttner, M., and Yates, J., 2010, "Capturing Toxic Chemicals at Low Concentrations Using Lithiated SWNT: A Combined Experimental and Theoretical Study," AIChE Annual Meeting, Salt Lake City, UT.

Enick, R.M., Johnson, J.K., Xie, H., Tapriyal, D., Wei, B., Perry, R.J., Genovese, S., Wood, B.R., and O'Brien, M., 2010, "Post-Combustion CO2 Capture Via Formation of Aminosilicone Carbamate Salt Powders in Spray Dryers," AIChE Annual Meeting, Salt Lake City, UT.

Johnson, J.K., 2010, "First-Principles Modeling of Destabilized Hydride Systems," CECAM Workshop on Simulations and Experiments on Materials for Hydrogen Storage, ACAM, Dublin, Ireland.

Johnson, J.K., 2010, "Modeling Adsorption and Transport through Carbon Nanotube Membranes," Gordon Research Conference Membranes: Materials & Processes, Colby-Sawyer College New London, NH.

Johnson, J.K., 2010, "Modeling Transport through Carbon Nanotube Membranes," Institute for High Performance Computing, Singapore.

Johnson, J.K., 2010, "Opportunities and Challenges in Modeling of Hydrogen Storage Materials," CECAM Workshop on Simulations and Experiments on Materials for Hydrogen Storage, ACAM, Dublin, Ireland.

Johnson, J.K., 2010, "Screening Novel Materials for Carbon Capture Using Quantum and Statistical Mechanics," Institute for High Performance Computing, Singapore.

Johnson, J.K., Kulkarni, A., Kim, K.C., and Sholl, D., 2010, "Computational Modelling of Destabilized Hydride Systems," CIMTEC 2010 5th Forum on New Materials, Montecatini Terme, Italy.

Li, P., Johnson, J.K., Beaird, A.M., and Matthews, M.A., 2010, "First-Principles Study of Sodium Borohydride for Hydrogen Storage," AIChE Annual Meeting, Salt Lake City, UT.

Liu, J., and Johnson, J.K., 2010, "Atomic-Level Modeling of Separation CO2 Using Metal-Organic Framework Membrane," Membranes: Materials & Processes, Gordon Research Seminar, Novel Concepts for Current Global Challenges, Colby-Sawyer College, New London, NH.

Liu, J., Chen, D., Stern, A.C., Johnson, J.K., and Space, B., 2010, "Atomic-Level Modeling of Separation CO2 Using Metal-Organic Framework Membranes," AIChE Annual Meeting, Salt Lake City, UT.

Shankar, C., Kumar, P., Choudhury, P., and Johnson, J.K., 2010, "Modeling Adsorption and Transport in Nanotubes with Realistic Defects and Entrance Functional Groups," AIChE Annual Meeting, Salt Lake City, UT.

Sholl, D.S., Kim, K.C., Kulkarni, A., and Johnson, J.K., 2010, "Large-scale screening of metal hydrides for hydrogen storage based on equilibrium reaction thermodynamics," 239th ACS National Meeting, San Francisco, CA.

Xie, H., and Johnson, J.K., 2010, "Heat of Reaction Calculation for Substituted MEA Reaction with CO2," AIChE Annual Meeting, Salt Lake City, UT.

Yu, L., Beaird, A.M., Li, P., Johnson, J.K., Retnamma, R., and Matthews, M.A., 2010, "Hydrogen Liberated by Sodium Borohydride Hydrolysis: Kinetics and Material Properties in the Limited Water Regime," AIChE Annual Meeting, Salt Lake City, UT.

Johnson, J.K., 2009, "Adsorption and diffusion of hydrogen in nanoporous materials," 237th ACS National Meeting, Salt Lake City, Utah.

Johnson, J.K., 2009, "Adsorption and Transport of Gas Mixtures in Crystalline Nanoporous Materials: Insights from Molecular Modeling," University of South Florida, Department of Chemistry Seminar Series, Tampa, Florida.

Johnson, J.K., 2009, "Atomistic Modeling of Hydrogen Storage in Complex Metal Hydrides," University of Nebraska-Lincoln, Department of Chemistry Colloquium, Lincoln, NE.

Johnson, J.K., 2009, "Effect of Alkali Doping on the Adsorption of Toxic Materials in Single Walled Nanotubes: Theoretical Results," Edgewood Chemical Biological Center Colloquium on Surface Science and Interfacial Dynamics, Edgewood Chemical Biological Center.

Johnson, J.K., 2009, "Hydrogen Storage in Complex Metal Hydrides: Predictions from Density Functional Theory," New York University, Department of Chemistry.

Johnson, J.K., 2009, "Hydrogen Storage: Insights from Atomistic Modeling," Rutgers University, Department of Chemical & Biochemical Engineering, Departmental Seminar Series, Piscataway, NJ.

Johnson, J.K., 2009, "Modeling CO2 Capture Using Ab Initio and Statistical Mechanical Methods," AIChE Spring National Meeting, Tampa, Florida.

Johnson, J.K., 2009, "Modeling of Adsorption and Transport of Gas Mixtures in Crystalline Nanoporous Materials," Indiana University, IUCF LENS/CMP Seminar Series, Bloomington IN.

Johnson, J.K., 2009, "Quantum and Statistical Mechanical Modeling of Adsorption, Transport, and Reactions at Surfaces," Dynamics and Chemistry of Surfaces and Interface Basic Research Workshop, 700 Drayton Street, Savannah, GA, USA.

Johnson, J.K., 2009, "Synergy between theory and experiments: Enhanced insight through working together," 237th ACS National Meeting, Salt Lake City, Utah.

Johnson, J.K., Chen, D., Xie, H., Miller, M.B., and Enick, R.M., 2009, "Prediction of CO2 Solubility in Oligomers," AIChE Annual Meeting, Nashville, TN.

Kulkarni, A., Wang, L., Sholl, D., Johnson, J.K., and Johnson, D.D., 2009, "First Principles Study of Dehydrogenation Reaction Intermediates of Complex Metal Borbohydrides," AIChE Annual Meeting, Nashville, TN.

Kulkarni, A.D., Wang, L., Johnson, D.D., Sholl, D.S., and Johnson, J.K., 2009, "First Principles Study of Dehydrogenation Reaction Intermediates of Complex Metal Borbohydrides," PA-OH-WV Simulators Meeting, Pittsburgh, PA.

Kumar, P., and Johnson, J.K., 2009, "Examining Point Defects and the Diffusivity of Ar and Ne through Single Walled Carbon Nanotubes," AIChE Annual Meeting, Nashville, TN.

LaBrosse, M.R., and Johnson, J.K., 2009, "Development of Transferable Reactive Force Field (ReaxFF) for fcc Cobalt," PA-OH-WV Simulators Meeting, Pittsburgh, PA.

LaBrosse, M.R., van Duin, A.C., and Johnson, J.K., 2009, "Study of Cobalt Surface and Crystal Defect Behavior Using a Reactive Force Field (ReaxFF)," AIChE Annual Meeting, Nashville, TN.

Liu, J., Johnson, J.K., Culp, J., Steckel, J., and Goodman, A., 2009, "Molecular Modeling of CO2 Adsorption and Transport in Nanoporous Materials," AIChE Annual Meeting, Nashville, TN.

Shankar, C., Kumar, P., and Johnson, J.K., 2009, "Gate Functionalized CNT Membranes for Desalination," AIChE Annual Meeting, Nashville, TN.

Xiao, L., Buettner, M., Mandeltort, L., Yates, J.T., and Johnson, J.K., 2009, "CH3Cl Dissociation On Li-Doped Single Walled Carbon Nanotubes," AIChE Annual Meeting, Nashville, TN.

Xie, H., and Johnson, J.K., 2009, "A Mechanistic Study of the Monoethanolamine+CO2 Reaction in Aqueous Solution: Is the Zwitterion a Necessary Intermediate?," AIChE Annual Meeting, Nashville, TN.

Zhang, B., Duan, Y., and Johnson, J.K., 2009, "Reaction Equilibrium of Carbonation of Transition Metal Oxides and Hydroxides: a Practical Method to Screen Possible Reactions for CO2 Capture," AIChE Annual Meeting, Nashville, TN.

Johnson, J.K., 2008, "Applications of Atomically-detailed Modeling in Chemical Engineering," Clemson University, Department of Chemical Engineering, Clemson, South Carolina.

Johnson, J.K., 2008, "Predicting complex metal hydride thermodynamics with density functional theory," Penn State, Condensed Matter Physics Seminar, University Park, Pennsylvania.

Johnson, J.K., 2008, "Predicting Metal Hydride Reactions from First Principles," Oxford University, Department of Inorganic Chemistry.

Johnson, J.K., 2008, "Predicting Properties of Metal Hydrides from First Principles," West Virginia University, Department of Chemical Engineering, Morgantown West Virginia.

Johnson, J.K., 2008, "Thermodynamic and transport properties of gases and liquids in nanoporous materials," Virginia Tech, Department of Chemical Engineering, Blacksburg, Virginia.

Johnson, J.K., Alapati, S., Dai, B., Kim, K., and Sholl, D., 2008, "Density Functional Screening of Metal Hydride Reactions," Annual APS March Meeting, New Orleans, Louisiana.

Johnson, J.K., Kim, K., Kulkarni, A., and Sholl, D.S., 2008, "Predicting Metal Hydride Reactions from First Principles," AIChE Annual Meeting, Philadelphia, PA.

Johnson, J.K., Liu, J., Keskin, S., and Sholl, D.S., 2008, "Molecular Modeling Study of Adsorption and Diffusion of Mixed Gases in CuBTC Metal Organic Framework," ACS Spring National Meeting/AIChE Spring National Meeting, New Orleans, Louisiana.

Johnson, J.K., Rankin, R.B., Shi, S., and Sholl, D.S., 2008, "Density functional theory study of adsorption and dissociation of contaminants on zinc orthotitanate," ACS Spring National Meeting/AIChE Spring National Meeting, New Orleans, Louisiana.

Kulkani, A., and Johnson, J.K., 2008, "Exploring CO2 capture mechanism with bicyclic amidines: Quantum chemical study," PA-OH-WV Simulators Meeting, Carnegie Mellon University, Pittsburgh, PA.

Labrosse, M.R., and Johnson, J.K., 2008, "Validation of ReaxFF Cobalt Parameters Through the Study of Crystal Defect Behavior," 2008 MRS Fall Meeting, Boston MA.

Liu, J., Keskin, S., Rankin, R.B., Johnson, J.K., and Sholl, D.S., 2008, "Molecular Simulation of CO2 and CO2/CH4 Mixture Adsorption and Diffusion In Metal-Organic Frameworks," AIChE Annual Meeting, Philadelphia, PA.

Rankin, R.B., and Johnson, J.K., 2008, "Characterization of the Adsorption of CO2 In Metal-Organic Framework and Zeolitic-Imidazolate Framework Materials by Density Functional Theory Calculations," AIChE Annual Meeting, Philadelphia, PA.

Rankin, R.B., and Johnson, J.K., 2008, "Density functional theory calculations on the bulk structure and atomic charges in novel nanoporous materials," PA-OH-WV Simulators Meeting, Carnegie Mellon University, Pittsburgh, PA.

Sholl, D.S., Alapati, S.V., Dai, B., Kim, K., and Johnson, J.K., 2008, "Accelerating discovery of high capacity metal hydrides for reversible hydrogen storage using first-principles calculations," NHA Annual Hydrogen Conference 2008, Sacramento, CA, USA.

Sholl, D.S., Alapati, S.V., Kim, K., Dai, B., and Johnson, J.K., 2008, "Using thermodynamic properties from first-principles calculations to accelerate the search for metal hydride-based hydrogen storage materials," ACS and AIChE Joint Spring 2008 National Meeting, New Orleans, LA, USA.

Sholl, D.S., Dai, B., Johnson, J.K., Zarkevich, N., Johnson, D.D., and Allendorf, M., 2008, "Influence of surface reactions on complex hydride reversibility," International Symposium on Metal-Hydrogen Systems, Reykjavik, Iceland.

Xiao, L., Johnson, J.K., Buettner, M., and Yates, J.T., 2008, "Characterization of Alkali Metal Doped Carbon Nanotubes," AIChE Annual Meeting, Philadelphia, PA.

Alapati, S.V., Sholl, D.S., and Johnson, J.K., 2007, "Stability Analysis Of Doped Materials For Reversible Storage In Destabilized Metal Hydrides," AIChE Annual Meeting, Salt Lake City, UT.

Dai, B., Johnson, J.K., Alapati, S.V., and Sholl, D.S., 2007, "Prediction of Thermodynamics and Surface Reactions of Complex Metal Hydrides," AIChE Annual Meeting, Salt Lake City, UT.

Dai, B., Sholl, D., and Johnson, J.K., 2007, "Computational study of surface reaction kinetics and poisoning of metal hydrides," ACS National Meeting, Boston, MA.

Hao, S., Sholl, D., and Johnson, J.K., 2007, "First principles investigation of adsorption and dissociation of AsH3 and H2Se on Zn2TiO4 (010) surface," ACS National Meeting, Boston, MA.

Johnson, J.K., 2007, "High Throughput Screening of Metal Hyrides from First Principles," ExxonMobil Metal Hydride Symposium, Hershey, PA.

Johnson, J.K., Alapati, S.V., Dai, B., and Sholl, D.S., 2007, "Screening destabilized metal hydrides for reversible hydrogen storage," 233rd ACS National Meeting & Exposition - Spring 2007, Chicago, IL.

Johnson, J.K., Alapati, S.V., Dai, B., and Sholl, D.S., 2007, "The Predictive Power Of Atomically-Detailed Simulations," AIChE Annual Meeting, Salt Lake City, UT.

Johnson, J.K., Alapati, S.V., Dai, B., and Sholl, D.S., 2007, "Thermodynamics of Doped Complex Metal Hydrides," International Symposium on Materials Issues in a Hydrogen Economy, Richmond, Virginia.

Johnson, J.K., Sholl, D.S., Alapati, S.V., and Dai, B., 2007, "First-Principles Modeling of Hydrogen Storage in Metal Hydride Systems," DOE Hydrogen Program Review, Washington D.C.

Johnson, J.K., Wang, Y., and Lustig, S.R., 2007, "Modeling Carbon Dioxide Solubility In Poly(Ionic Liquid)s With Cosmotherm," AIChE Annual Meeting, Salt Lake City, UT.

Johnson, J.K., Wang, Y., Liu, J., and Sholl, D.S., 2007, "Calculation of diffusion coefficients of water and alkanes through single-walled carbon nanotubes from simulations," ACS National Meeting, Boston, MA.

Kattner, U.R., Alapati, S.V., Johnson, J.K., and Sholl, D.S., 2007, "Challenges in the Development of a Thermodynamic Database for Metal-Hydrogen Systems," CALPHAD XXXVI, State College, PA.

LaBrosse, M., Shi, W., and Johnson, J.K., 2007, "Gas Adsorption on Carbon Nanotube Bundles: Simulations and Comparison with Experiment," AIChE Annual Meeting, Salt Lake City, UT.

Liu, J., Johnson, J.K., Culp, J., Natesakhawat, S., Bockrath, B., Sankar, S.G., Zande, B., and Garberoglio, G., 2007, "Experimental And Theoretical Studies Of Gas Adsorption In Cu3(BTC)2," AIChE Annual Meeting, Salt Lake City, UT.

Rankin, R.B., Johnson, J.K., Sholl, D.S., and Hao, S., 2007, "Density Functional Theory Characterization of Zinc Orthotitanate Sorbents for Hydrogen Sulfide Dissociation," AIChE Annual Meeting, Salt Lake City, UT.

Rankin, R.B., Johnson, J.K., Sholl, D.S., Tian, H., Siriwardane, R., Campos, A., Spivey, J.J., and Roy, A.D., 2007, "Computational design of novel sorbent materials for IGCC H2S removal and process intensification," ACS National Meeting, Boston, MA.

Sholl, D.S., Alapati, S.V., Dai, B., and Johnson, J.K., 2007, "Discovery of new destabilized hydrides for reversible hydrogen storage using first principles calculations," Symposium on Hydrogen Storage and Fuel Cell Technology, ACS National Meeting, Boston, MA.

Tapriyal, D., Enick, R.M., Wang, Y., Johnson, J.K., Jun, L., McHugh, M.A., Crosthwaite, J.M., Thies, M.C., Paik, I., and Hamilton, A.D., 2007, "Design Of Non-Fluorous, CO2-Soluble Polymers, Hydrogen-Bonding Compounds And Dendrimers," AIChE Annual Meeting, Salt Lake City, UT.

Alapati, S.V., Dai, B., Johnson, J.K., and Sholl, D.S., 2006, "First Principles Calculations of Destabilized Alloys for Hydrogen Storage Applications," 2006 TMS Annual Meeting, San Antonio, TX.

Alapati, S.V., Sholl, D.S., and Johnson, J.K., 2006, "Screening Destabilized Alloys for Hydrogen Storage Applications and Prediction of Thermodynamic Properties using First Principles," 2006 Midwest Thermodynamics and Statistical Mechanics Conference, Akron, OH.

Chen, H., Johnson, J.K., and Sholl, D.S., 2006, "Transport Diffusion of Gases Is Rapid In Flexible Carbon Nanotubes," 2006 Midwest Thermodynamics and Statistical Mechanics Conference, Akron, OH.

Dai, B., Alapati, S., Sholl, D.S., and Johnson, J.K., 2006, "First Principles Investigation of Adsorption and Dissociation of Hydrogen on the Mg2Si Surface," Pittsburgh-Cleveland Catalysis Society Spring Meeting, Pittsburgh, PA.

Dai, B., Alapati, S.V., Sholl, D.S., and Johnson, J.K., 2006, "First Principles Investigation of Adsorption and Dissociation of Hydrogen on the Mg2Si Surface," 231st American Chemical Society National Meeting, Atlanta, Georgia.

Dai, B., Sholl, D.S., and Johnson, J.K., 2006, "First Principles Investigation of Adsorption and Dissociation of Hydrogen on the Mg2Si Surface," 2006 Midwest Thermodynamics and Statistical Mechanics Conference, Akron, OH.

Dai, B., Sholl, D.S., and Johnson, J.K., 2006, "First Principles Investigation of Adsorption and Dissociation of Hydrogen on the Mg2Si Surface," AIChE Annual Meeting, San Francisco, CA.

Feldman, J.L., and Johnson, J.K., 2006, "Vibron dynamics of hydrogen at high pressures and temperatures," American Physical Society March Meeting, Baltimore, MD.

Hong, L., Yang, Y., Enick, R.M., Beckman, E.J., and Johnson, J.K., 2006, "Identification, design and synthesis of oxygenated hydrocarbon-based CO2-soluble polymers for chemical, pharmaceutical, biomedical and petroleum engineering applications," 10th Annual Green Chemistry & Engineering Conference, Washington, DC.

Johnson, J.K., Alapati, S.V., Dai, B., and Sholl, D.S., 2006, "Thermodynamics and Kinetics of Destabilized Metal Hydrides from Density Functional Theory," 2006 MRS Fall Meeting, Boston, MA.

Johnson, J.K., Alapati, S.V., Dai, B., Liu, J., and Sholl, D.S., 2006, "Atomistic Simulations of Hydrogen Storage in Metal Hydrides and Nanoporous Sorbents," International Symposium on Materials Issues in Hydrogen Production and Storage, University of California, Santa Barbara.

Johnson, J.K., Alapati, S.V., Dai, D., and Sholl, D.S., 2006, "Computational Study of Metal Hydride Destabilization," American Physical Society March Meeting, Baltimore, MD.

Johnson, J.K., Wang, Y., Liu, J., Yim, W., Kondratyuk, P., Byl, O., and Yates, J.T., 2006, "Structure and Transport of Complex Fluids in Carbon Nanotubes," Oak Ridge National Laboratory, Oak Ridge TN.

Liu, J., Dai, B., and Johnson, J.K., 2006, "Modeling Hydrogen Adsorption in Microporous Metal-Organic Frameworks," AIChE Annual Meeting, San Francisco, CA.

Sholl, D.S., Alapati, S., Dai, B., and Johnson, J.K., 2006, "Destabilized hydrides for reversible hydrogen storage," 232nd ACS National Meeting, San Francisco, CA.

Sholl, D.S., Alapati, S., Johnson, J.K., and Dai, B., 2006, "Accelerating development of destabilized metal hydrides for hydrogen storage using first principles calculations," MH2006, International Symposium on Metal-Hydrogen Systems, Lahaina, Maui, Hawaii.

Wang, Y., Liu, J., and Johnson, J.K., 2006, "Diffusion Studies of Water and n-Alkane Molecules in Carbon Nanotubes," 2006 Midwest Thermodynamics and Statistical Mechanics Conference, Akron, OH.

Wang, Y., Liu, J., and Johnson, J.K., 2006, "Diffusion Studies of Water and N-Alkane Molecules in Carbon Nanotubes," AIChE Annual Meeting, San Francisco, CA.

Byl, O., Liu, J., Wang, Y., Yim, W., Johnson, J.K., and Yates, J.T., 2005, "Water Confinement in Carbon Nanotubes," AIChE Annual Meeting, Cincinnati, Ohio.

English, N., Johnson, J.K., and Sorescu, D., 2005, "Molecular Dynamics Study of the Effect of Microwaves on TiO2 Mobility," Symposium on Electromagnetics, Materials Processing Materials Science & Technology 2005, Pittsburgh, Pennsylvania.

Enick, R.M., Beckman, E.J., Johnson, J.K., Hong, L., Fan, X., Wang, Y., and Tapriyal, D., 2005, "CO2-soluble polymers, surfactants, and nanoparticle precursors composed of C, H and O," Pacifichem 2005.

Garberoglio, G., and Johnson, J.K., 2005, "Quantum Sieving of Hydrogen Isotopes in Carbon Nanotubes," AIChE Annual Meeting, Cincinnati, Ohio.

Garberoglio, G., Skoulidas, A., and Johnson, J.K., 2005, "Mechanisms of Hydrogen Adsorption in Metal Organic Frameworks," AIChE Annual Meeting, Cincinnati, Ohio.

Johnson, J.K., 2005, "Atomistic Simulations of Novel Hydrogen Storage Materials," Department of Chemical Engineering, Brigham Young University, Provo, Utah.

Johnson, J.K., 2005, "Atomistic Simulations of Novel Hydrogen Storage Materials," Pittsburgh-Cleveland Catalysis Society, Pittsburgh, PA.

Johnson, J.K., 2005, "Hydrogen Storage: Prospects and Problems," Pittsburgh Chemists Club, Pittsburgh, PA.

Johnson, J.K., 2005, "Interplay Between Experiments and Molecular Simulations," Department of Chemical and Biological Engineering, Northwestern University, Evanston, IL.

Johnson, J.K., Alapati, S.V., Dai, B., Garberglio, G., and Sholl, D.S., 2005, "Computational Studies of Hydrogen Storage: Metal Organic Frameworks and Destabilized Metal Hydrides," W. E. Heraeus Seminar on Hydrogen Storage with Novel Nanomaterials, Bad Honnef, Germany.

Johnson, J.K., and Garberoglio, G., 2005, "Hydrogen Storage in Metal Organic Frameworks: Predictions from Computer Simulations," Symposium on Materials for the Hydrogen Economy, Materials Science & Technology 2005, Pittsburgh, Pennsylvania.

Kondratyuk, P., Wang, Y., Johnson, J.K., and Yates, J.T., 2005, "Quasi-One-Dimensional Adsorption of Alkanes on Carbon Nanotubes Observed from Experiments and Simulations," AIChE Annual Meeting, Cincinnati, Ohio.

Skoulidas, A., Garberoglio, G., and Johnson, J.K., 2005, "Computer simulation of hydrogen in metal organic frameworks," The 229th ACS National Meeting, San Diego, CA.

Skoulidas, A., Sholl, D.S., and Johnson, J.K., 2005, "Transport of CO2 and N2 through Single-Walled Carbon Nanotubes," AIChE Annual Meeting, Cincinnati, Ohio.

Chen, L., Matranga, C., and Johnson, J.K., 2004, "Quasi-1-Dimensional Behavior of CO2 Adsorbed on Carbon Nanotube Bundles," AIChE Annual Meeting, Austin, TX.

Garberoglio, G., Skoulidas, A., and Johnson, J.K., 2004, "Adsorption of light gases in MOFs: comparison between simulation and experiment," AIChE Annual Meeting, Austin, TX.

Johnson, J.K., 2004, "Designing Highly CO2-Soluble Materials," Pittsburgh Chemists Club, Pittsburgh, PA.

Johnson, J.K., 2004, "Is Molecular Modeling Really Useful?," Department of Chemical and Biomolecular Engineering, University of Notre Dame.

Johnson, J.K., 2004, "Theory, Modeling, and Experiment of Hydrogen Adsorption on Carbons," Computational Modeling and Simulation of Materials, Sicily, Italy.

Johnson, J.K., Ackerman, D., Skoulidas, A., and Sholl, D.S., 2004, "Adsorption and Diffusion of Light Gases in Carbon Nanotubes," Annual APS March Meeting 2004, Montreal, Quebec, Canada.

Johnson, J.K., Chen, L., Byl, O., Kondratyuk, P., and Yates, J.T., 2004, "Adsorption of Small Molecules in Single Walled Carbon Nanotubes," AIChE Annual Meeting, Austin, TX.

Johnson, J.K., Wang, Y., Enick, R.M., and Beckman, E.J., 2004, "What Can Molecular Modeling Tell Us About CO2-soluble Polymers?," 11th International Symposium & Exhibit on Supercritical Fluid Chromatography, Extraction and Processing, Pittsburgh, Pennsylvania.

Matranga, C., Chen, L., Johnson, J.K., and Bockrath, B., 2004, "Vibrational Spectroscopic Studies of Gas Adsorption in Carbon Nanotube Bundles," Materials Research Society Fall Meeting, Boston, MA.

Shi, W., and Johnson, J.K., 2004, "Where do gases adsorb in carbon nanotube bundles?," 8th International Conference on Fundamentals of Adsorption, Sedona, Arizona.

Wang, Y., and Johnson, J.K., 2004, "Why are Semi-fluorinated Polymers CO2-soluble? Answers from Molecular Modeling," AIChE Annual Meeting, Austin, TX.

Zhao, X., Simonyan, V., and Johnson, J.K., 2004, "Adsorption of DNA on a single-walled carbon nanotube: A molecular dynamics study," AIChE Annual Meeting, Austin, TX.

Byl, O., Kondratyuk, P., Chen, L., Johnson, J.K., and Yates, J.T., 2003, "Adsorption of CF4 on Opened Single Walled Carbon Nanotubes," 35th ACS Central Regional Meeting, Pittsburgh, PA.

Chen, L., and Johnson, J.K., 2003, "Theoretical calculations of CF4 adsorbed on carbon nanotubes: Vibrational spectra and adsorption isotherms," 2002 Midwest Thermodynamics and Statistical Mechanics Meeting, Pittsburgh PA.

Johnson, J.K., 2003, "Adsorption and Transport of Gases in Carbon Nanotubes," University of Hong Kong, Department of Chemistry, Hong Kong.

Johnson, J.K., 2003, "Adsorption of Gases on Heterogeneous Nanotube Bundles," University of Hong Kong, Department of Chemistry, Hong Kong.

Johnson, J.K., 2003, "Diffusion of Gases in Single-Walled Carbon Nanotubes: Predictions from Molecular Simulations," Scientific Opportunities for Cold Neutron Spectroscopy, Washington DC.

Johnson, J.K., 2003, "Experimental and Theoretical Study of Co-adsorption of CF4 and Xe on Single Walled Carbon Nanotubes," University of Hong Kong, Department of Chemistry, Hong Kong.

Johnson, J.K., 2003, "Hydrogen Storage on Carbon Sorbents," DuPont Chesapeake Conference on Science & Technology for the Hydrogen Economy, Galbraith House, Chesapeake Farms, MD.

Johnson, J.K., 2003, "Hydrogen Storage: Theory and Computation," Basic Research for Hydrogen Production, Storage, and Use Workshop, Department of Energy, Basic Energy Sciences, Doubletree Hotel and Executive Meeting Center, Rockville, MD.

Shi, W., and Johnson, J.K., 2003, "The Effect of Diameter Heterogeneity on the Adsorption of Gases on Closed Nanotube Bundles," AIChE Annual Meeting, San Francisco, CA.

Skoulidas, A., Ackerman, D., Chen, H., Chong, S., Johnson, J.K., and Sholl, D., 2003, "Single-walled Carbon Nanotubes As Possible Materials For High Selectivity/high Flux Gas Separations," Annual Meeting, San Francisco, CA.

Skoulidas, A.I., Ackerman, D.M., Johnson, J.K., and Sholl, D.S., 2003, "A comparison of gas diffusion rates in carbon nanotubes and zeolites," 2002 Midwest Thermodynamics and Statistical Mechanics Meeting, Pittsburgh PA.

Wang, Y., and Johnson, J.K., 2003, "Molecular modeling design and optimization of non-fluorous CO2-philic polymers," 2003 Midwest Thermodynamics and Statistical Mechanics Conference, Columbus, OH.

Wang, Y., and Johnson, J.K., 2003, "Molecular Modeling Design and Optimization of Non-fluorous CO2-philic Polymers," 35th ACS Central Regional Meeting, Pittsburgh, PA.

Wang, Y., Kilic, S., Michalik, S., Johnson, J.K., Enick, R.M., and Beckman, E.J., 2003, "Molecular modeling design and optimization of non-fluorous CO2-philic polymers," Annual Meeting, San Francisco, CA.

Yim, W., Byl, O., Kondratyuk, P., Johnson, J.K., and Yates, J.T., 2003, "Vibrational Behavior of Adsorbed CO2 on the Interior and Exterior Surfaces of Carbon Nanotubes: An Experimental and First Principles Study," Annual Meeting, San Francisco, CA.

Yim, W., Johnson, J.K., and Yates, J.T., 2003, "Dimensional Effects on the LO-TO Splitting of CF4 in Condensed Phase," 35th ACS Central Regional Meeting, Pittsburgh, PA.

Zhao, X., Johnson, J.K., Lee, J., Hong, S., Ahner, J., and Yates, J., 2003, "Direct observation of molecularly-aligned molecules in the second layer CO/Ag(110)," 2003 Midwest Thermodynamics and Statistical Mechanics Conference, Columbus, OH.

Zhao, X., Lee, J., Hong, S., Ahner, J., Johnson, J.K., and Yates, J.T., 2003, "Direct Observation of Molecularly-aligned Molecules in the Second Physisorbed Layer-CO/Ag(110)," AIChE Annual Meeting, San Francisco, CA.

Calbi, M.M., Johnson, J.K., and Cole, M.W., 2002, "Phases of gasses adsorbed on the external surface of nanotube bundles: Dimensionality and quantum effects," 2002 Midwest Thermodynamics and Statistical Mechanics Meeting, Pittsburgh PA.

Chen, L., and Johnson, J.K., 2002, "Adsorption and Vibrational Spectra of Molecules on Carbon Nanotubes," AIChE Annual Meeting, Indianapolis, Indiana.

Johnson, J.K., 2002, "Adsorption, Quantum Sieving and Transport of Gases in Carbon Nanotubes," University of Akron Department of Chemical Engineering, Akron, Ohio.

Johnson, J.K., 2002, "Quantum Sieving and Transport of Gases in Carbon Nanotubes," American Physical Society March Meeting, Indianapolis Indiana.

Johnson, J.K., 2002, "Thermodynamics and Transport Properties of Fluids in Carbon Nanotubes," Imperial College of Science, Technology, and Medicine, Department of Chemical Engineering, London, England.

Johnson, J.K., 2002, "Transport and Adsorption of Gases in Carbon Nanotubes," Imperial College of Science, Technology, and Medicine, Department of Chemistry, London, England.

Shen, Z., Xu, J., McHugh, M.A., Enick, R.M., Beckman, E.J., and Johnson, J.K., 2002, "Per-Acetylated Polymers Exhibit Enhanced CO2-Solubility," AIChE Annual Meeting, Indianapolis, Indiana.

Shi, W., and Johnson, J.K., 2002, "Hydrogen and methane adsorption onto heterogeneous carbon nanotube bundles," 2002 Midwest Thermodynamics and Statistical Mechanics Meeting, Pittsburgh PA.

Shi, W., Johnson, J.K., Smith, M., Bittner, E., and Bockwrath, B.C., 2002, "Effect of Bundle Heterogeneity on Adsorption of Hydrogen and Methane," AIChE Annual Meeting, Indianapolis, Indiana.

Skoulidas, A.I., Ackerman, D., Johnson, J.K., and Sholl, D.S., 2002, "Comparison of Gas Diffusion Rates in Carbon Nanotubes and Zeolites," AIChE Annual Meeting, Indianapolis, Indiana.

Zhao, X., and Johnson, J.K., 2002, "Surface tension of quantum fluids from molecular simulations," 2002 Midwest Thermodynamics and Statistical Mechanics Meeting, Pittsburgh PA.

Zhao, X., Rassmussen, C.E., and Johnson, J.K., 2002, "Surface Tension of Quantum Fluids from Molecular Simulations," AIChE Annual Meeting, Indianapolis, Indiana.

Johnson, J.K., 2001, "Insights on Adsorption in Carbon Nanotubes from Molecular Simulations," University of Oklahoma, Department of Chemical Engineering, Norman Oklahoma.

Johnson, J.K., 2001, "Modeling Hydrogen Adsorption and Isotope Separation," Indiana University of Pennsylvania, Department of Physics, Colloquium Series, Indiana University of Pennsylvania.

Johnson, J.K., 2001, "Simulation and Experimental Studies of Adsorption on Carbon Nanotubes and Surfaces," Chemical Physics/Physical Chemistry Seminar Series, Pennsylvania State University.

Johnson, J.K., and Shi, W., 2001, "Wetting and Prewetting Behavior of Hydrogen on Alkali Metals," The International TRI/Princeton Workshop, Princeton, NJ.

Johnson, J.K., Challa, S.R., and Sholl, D.S., 2001, "Adsorption and Separation of Hydrogen Isotopes in Carbon Nanotubes," AIChE Annual Meeting, Reno Nevada.

Johnson, J.K., Shi, W., and Zhao, X., 2001, "Phase Transitions in Quantum and Classical Systems: Comparison of simulation and Experiment," Phase Transitions in Complex Confined Systems, CECAM/ESF Workshop, ENS, Lyon, France.

Johnson, J.K., Simonyan, V.V., Challa, S.R., Cole, M.W., and Sholl, D.S., 2001, "Adsorption of Quantum and Classical Fluids in Nanotubes," 7th International conference on Fundamentals of Adsorption, Nagasaki, Japan.

Johnson, J.K., Skoulidas, A., Ackerman, D., and Dholl, D.S., 2001, "Transport of Hydrogen, Methane, and Perfluoromethane in Carbon Nanotubes," AIChE Annual Meeting, Reno, Nevada.

Johnson, J.K., Smith, M., Bittner, E., Bockrath, B., and Simonyan, V.V., 2001, "Experimental and Simulational Study of Hydrogen Adsorption on Carbon Nanotubes," AIChE Annual Meeting, Reno, Nevada.

Shi, W., Cole, M.W., and Johnson, J.K., 2001, "Wetting of Quantum Fluids on Alkali Metals: Hydrogen on Rubidium," AIChE Annual Meeting, Reno, Nevada.

Zhao, X., Johnson, J.K., Kwon, S., Borguet, E.U., and Vidic, R.D., 2001, "Adsorption of Polar Organics on Graphite from Experiment and Molecular Simulation," AIChE Annual Meeting, Reno, Nevada.

Zhao, X., Johnson, J.K., Kwon, S., Borguet, E.U., and Vidic, R.D., 2001, "Propane Adsorption on Graphite: Experiment and Simulation," AIChE Annual Meeting, Reno, Nevada.

Zhao, X., Johnson, J.K., Kwon, S., Vidic, R., and Borguet, E., 2001, "Propane Adsorption on Graphite: Experiment and Simulation," Midwest Thermodynamics and Statistical Mechanics Conference, East Lansing, Michigan.

Challa, S.R., and Johnson, J.K., 2000, "Quantum Effects in Thermodynamic Properties and Phase Equilibria of Liquid Mixtures of H Isotopes," AIChE National Meeting, Los Angeles, California.

Diep, P., and Johnson, J.K., 2000, "Three-Body Interactions of Hydrogen from First Principles," AIChE National Meeting, Los Angeles, California.

Diep, P., Zhao, X., and Johnson, J.K., 2000, "Computing Chemical Potentials of Dense Fluids by Kirkwood Ensemble Integeration," AIChE National Meeting, Los Angeles, California.

Johnson, J.K., 2000, "Hydrogen Isotope Separation in Carbon Nanotubes," Tritium Science and Engineering, Los Alamos National Laboratory.

Johnson, J.K., 2000, "Hydrogen Storage in Graphitic Adsorbents," Brigham Young University, Department of Chemical Engineering, Provo, Utah.

Johnson, J.K., 2000, "Hydrogen Storage in Graphitic Adsorbents," University of Pittsburgh, Department of Physics, Condensed Matter Seminar, Pittsburgh, Pennsylvania.

Johnson, J.K., 2000, "Quantum and Classical Simulations of Adsorption," National Energy Technology Laboratory, Morgantown, West Virginia.

Johnson, J.K., 2000, "What is Quantum in Chemical Engineering?," Department of Chemical Engineering, Carnegie Mellon University, Pittsburgh, Pennsylvania.

Johnson, J.K., and Shi, W., 2000, "Multiple Histogram Reweighting Applied to Adsorption Simulations," Pacifichem 2000, Honolulu, Hawaii.

Johnson, J.K., and Shi, W., 2000, "Multiple Histogram Reweighting Applied to Adsorption," AIChE National Meeting, Los Angeles, California.

Johnson, J.K., and Simonyan, V.V., 2000, "Hydrogen Storage in Carbon Nanotubes and Nanofibers," International Symposium on Metal Hydrogen Systems, Noosa, Queensland Australia.

Munro, L.J., and Johnson, J.K., 2000, "An Interatomic Potential for Mercury Dimer," AIChE National Meeting, Los Angeles, California.

Munro, L.J., Kwon, S., Johnson, J.K., Borguet, E., and Vidic, R.D., 2000, "Combined Theoretical and Experimental Investigation of Mechanisms and Kinetics of Vapor-Phase Mercury Uptake by Carbonaceous Surfaces," University Coal research Contractors Review Meeting, Pittsburgh, PA.

Shi, W., and Johnson, J.K., 2000, "Histogram Reweighting and Finite Size Scaling Study of Classical and Quantum Fluids," AIChE National Meeting, Los Angeles, California.

Sholl, D.S., Challa, S.R., and Johnson, J.K., 2000, "Carbon Nanotubes and Zeolites as Quantum Molecular Sieves," Access in Nanoporous Materials II, Banff, Alberta, Canada.

Simonyan, V.V., and Johnson, J.K., 2000, "Adsorption of Hydrogen and Xenon on Disordered Single Walled Carbon Nanotubes," AIChE National Meeting, Los Angeles, California.

Turner, C.H., Brennan, J.K., Johnson, J.K., and Gubbins, K.E., 2000, "Effect of Confinement on Chemical Reaction Equilibria: Simulation of NO Dimerization and NH3 Synthesis in a Carbon Pore," AIChE National Meeting, Los Angeles, California.

Challa, S.R., and Johnson, J.K., 1999, "Molar excess volumes of quantum mixtures from path integral simulations," Midwest Thermodynamics and Statistical Mechanics Meeting, Detroit, Michigan.

Challa, S.R., Johnson, J.K., and Sholl, D.S., 1999, "Isotope Mixture Adsorption in Carbon Nanotubes," AIChE National Meeting, Dallas, Texas.

Diep, P., and Johnson, J.K., 1999, "Development of an Ab Initio Potential for Molecular Hydrogen," AIChE National Meeting, Dallas, Texas.

Diep, P., and Johnson, J.K., 1999, "Hydrogen force field: Developed from First Principles," Midwest Thermodynamics and Statistical Mechanics Meeting, Detroit, Michigan.

Johnson, J.K., 1999, "Hydrogen Adsorption on Charged Carbon Nanotubes," The Sixth University of Pittsburgh Environment and Energy Colloquium, Pittsburgh, Pennsylvania.

Johnson, J.K., 1999, "Intermolecular Forces from Ab Initio: Possibilities and Limitations," Department of Chemical Engineering, University of Massachusetts at Amherst, Amherst, Massachusetts.

Johnson, J.K., 1999, "Isotope Separation by Quantum Molecular Sieving," ACS National Meeting, Anaheim, California.

Johnson, J.K., 1999, "Potentials for Molecular Simulations from Ab Initio," Department of Chemistry, Brigham Young University, Provo, Utah.

Johnson, J.K., 1999, "Simulations of Hydrogen Adsorption on Graphitic Sorbents," Department of Chemical Engineering, Michigan State University, East Lansing, Michigan.

Johnson, J.K., and Simonyan, V., 1999, "Hydrogen Adsorption on Charged Carbon Nanotubes," AIChE Annual Meeting, Dallas, Texas.

Johnson, J.K., and Simonyan, V.V., 1999, "Molecular Simulation of Hydrogen Adsorption in Charged Single-Walled Carbon Nanotubes," Honda Initiation Grant Symposium, Columbus, Ohio.

Munro, L., Johnson, J.K., and Jordan, K.D., 1999, "Interaction Potentials for Mercury," American Conference on Theoretical Chemistry, Boulder, Colorado.

Sholl, D.S., Challa, S.R., and Johnson, J.K., 1999, "Adsorption-based Separation of Isotope Mixtures Using Quantum Sieving," AIChE National Meeting, Dallas, Texas.

Sholl, D.S., Challa, S.R., and Johnson, J.K., 1999, "Separation of Isotopes Using Quantum Sieving in Carbon Nanotubes," American Conference on Theoretical Chemistry, Boulder, Colorado.

Turner, C.H., Johnson, J.K., and Gubbins, K.E., 1999, "Molecular Modeling of Chemical Reaction Equilibria in Narrow Pores: Effects of Confinement on Equilibrium Yield," AIChE National Meeting, Dallas, Texas.

Challa, S.R., and Johnson, J.K., 1998, "Molar Excess Volumes of Liquid Hydrogen and Neon Mixtures from Path Integral Simulations," AIChE National Meeting, Miami, Florida.

Diep, P., Beckman, E.J., Jordan, K.D., and Johnson, J.K., 1998, "Developing a Model Potential for CF2H2 from ab initio Calculations," AIChE National Meeting, Miami, Florida.

Johnson, J.K., 1998, "A Mechanism for Innovation: the Instructional Technology Working Group---Development of Web-based Engineering Tutorials," Fourth Annual Teaching Excellence Conference, University of Pittsburgh, Pittsburgh, Pennsylvania.

Johnson, J.K., 1998, "Accurate Potential Models from First-Principles: Is it possible?," Plenary Lecture at the AIChE National Meeting, Miami, Florida.

Johnson, J.K., 1998, "Adsorption of Hydrogen and Other Quantum Fluids from Path Integral Simulations," Department of Chemistry, Imperial College, London, UK.

Johnson, J.K., 1998, "Developing Model Potentials for Fluorocarbon, Hydrocarbon, and Carbon Dioxide Mixtures from First Principles," Fifth Liblice Conference on the Statistical Mechanics of Liquids, Zelezna Ruda, Czech Republic.

Johnson, J.K., 1998, "Material Modification/Pollutant Sequestration," Workshop on Dense Phase Fluids and Alternative Reaction Media, Santa Fe, New Mexico.

Johnson, J.K., 1998, "Modelling the Adsorption of Quantum Fluids by Path Integral Simulations," Department of Chemistry, Kings College, London, UK.

Johnson, J.K., Jordan, K.D., Beckman, E.J., and Diep, P., 1998, "So why are fluorocarbons CO2 philic anyway?," ACS National Meeting, Dallas, Texas.

Johnson, J.K., Vos, W.L., Feldman, J.L., and Eggert, J.H., 1998, "Vibron spectrum of fluid hydrogen," March Meeting of The American Physical Society, Los Angeles, California.

Johnson, J.K., Wang, Q., Challa, S.R., and Sholl, D.S., 1998, "Selective Adsorption of Isotopes by Quantum Molecular Sieving," AIChE National Meeting, Miami, Florida.

Wang, Q., and Johnson, J.K., 1998, "Molecular Simulation of Hydrogen Adsorption in Carbon Nanotubes," AIChE National Meeting, Miami, Florida.

Diep, P., Johnson, J.K., Jordan, K.D., and Beckman, E.J., 1997, "CO2-Fluorocarbon and CO2-Hydrocarbon Interactions from First Principles Calculations," AIChE Annual Meeting, Los Angeles, California.

Diep, P., Johnson, J.K., Jordan, K.D., and Beckman, E.J., 1997, "CO2-Hydrocarbon and CO2-Fluorocarbon Interactions from ab initio Calculations," Fifth Annual Chemical Engineering Graduate Students Symposium, University of West Virginia.

Diep, P., Johnson, J.K., Jordan, K.D., and Beckman, E.J., 1997, "CO2-Hydrocarbon and CO2-Fluorocarbon Interactions from ab initio Calculations," Midwest Theoretical Chemistry Conference, University of Illinois at Urbana-Chapaign.

Johnson, J.K., 1997, "Adsorption of Hydrogen in Graphitic Slit Pores & Nanotubes," 1997 Science of Carbon Nanotubes Workshop, Lexington, Kentucky.

Johnson, J.K., 1997, "An Overview of Molecular Modeling: From Carbon Dioxide-Fluorocarbon Interactions to Hydrogen Adsorption on Graphite," Federal Energy Technology Center, Pittsburgh, Pennsylvania.

Johnson, J.K., 1997, "Applications in Molecular Modeling," Bayer Corporation, Pittsburgh, Pennsylvania.

Johnson, J.K., 1997, "Applications of Molecular Modeling," Department of Chemical Engineering, Brigham Young University, Provo, Utah.

Johnson, J.K., 1997, "Computer Simulations of Fluid Hydrogen," Sandia National Laboratory/University of New Mexico Advanced Materials Laboratory, Albuquerque, New Mexico.

Johnson, J.K., 1997, "Molecular Modeling of Hydrogen Adsorption on Graphite and Metal Surfaces," Pennsylvania State University, State College, Pennsylvania.

Johnson, J.K., 1997, "Molecular Modeling of Quantum Fluids using the Path Integral Formalism," Duquesne University, Department of Chemistry, Pittsburgh, Pennsylvania.

Johnson, J.K., and Wang, Q., 1997, "Calculation of Adsorption Isotherms and Wetting Transitions for Hydrogen," Thirteenth Symposium on Thermophysical Properties, Boulder, Colorado.

Wang, Q., and Johnson, J.K., 1997, "Path Integral Molecular Modeling of Hydrogen Adsorption," AIChE Annual Meeting, Los Angeles, California.

Johnson, J.K., Wang, Q., and Broughton, J.Q., 1996, "Path Integral Molecular Modeling of Hydrogen Adsorption on Graphite," AIChE Annual Meeting, Chicago, Illinois.

Johnson, J.K., Wang, Q., and Broughton, J.Q., 1996, "Phase Diagrams and Bulk Fluid properties of Hydrogen and Neon from Path Integral Simulations," March Meeting of the American Physical Society, St. Louis, Missouri.

Wang, Q., Johnson, J.K., and Broughton, J.Q., 1996, "Phase Equilibrium and Thermodynamic Properties of Hydrogen from Path Integral Simulation," AIChE Annual Meeting, Chicago, Illinois.

Johnson, J.K., 1995, "Molecular Simulation of Phase and Chemical Equilibria," AICHE Annual Meeting, Miami Beach, Florida.

Johnson, J.K., 1995, "Theory and Simulations of Freely-jointed Lennard-Jones Chains," AICHE Annual Meeting, Miami Beach, Florida.

Johnson, J.K., 1995, "Thermodynamic Properties of Model Polymers," Bayer Corporation, Pittsburgh, Pennsylvania.

Johnson, J.K., and Broughton, J.Q., 1995, "Perturbation Theory and Simulations of Freely-jointed Lennard-Jones Chains," March Meeting of the American Physical Society, San Jose, California.

Johnson, J.K., Muller, E.A., and Gubbins, K.E., 1995, "Equation of State for Lennard-Jones Model Polymers," AICHE Annual Meeting, San Francisco, California.

Davidson, B.N., and Johnson, J.K., 1994, "Order N Algorithm Applied to the Total Energy of Large Fullerene Tubules and Tori," March Meeting of the American Physical Society, Pittsburgh, Pennsylvania.

Johnson, J.K., Quong, A.A., Pederson, M.R., and Broughton, J.Q., 1994, "An Electron Density Based Hamiltonian for Graphenes," March Meeting of the American Physical Society, Pittsburgh, Pennsylvania.

Pederson, M.R., Johnson, J.K., and Broughton, J.Q., 1994, "Toridal Fullerenes and Complexed Metal Atoms," March Meeting of the American Physical Society, Pittsburgh, Pennsylvania.

Johnson, J.K., 1993, "Energy Calculations of Fullerenes," Georgetown University, Physics Department, Washington D.C..

Johnson, J.K., and Broughton, J.Q., 1993, "Reactive Canonical Monte Carlo: A Novel Simulation Tool for Chemical Reactions," March Meeting of the American Physical Society, Seattle, Washington.

Johnson, J.K., Davidson, B.N., Quong, A.A., and Broughton, J.Q., 1993, "Structure and Total Energies of Fullerene Tubules and Tori," The Materials Research Society Fall Meeting, Boston, Massachusetts.

Johnson, J.K., and Gubbins, K.E., 1992, "Phase Behavior of Model Associating Fluids," Los Alamos National Laboratory, Los Alamos, New Mexico.

Johnson, J.K., and Gubbins, K.E., 1992, "Phase Equilibria for Strongly Associating Fluids from Theory and Computer Simulation," Twelfth IUPAC Conference on Chemical Thermodynamics, Snowbird, Utah.

Johnson, J.K., Walsh, J.M., and Gubbins, K.E., 1991, "Phase Equilibria for Associating Fluids; Molecular Simulation, Theory and Experiment," AIChE Annual Meeting, Los Angeles, California.

Johnson, J.K., Jackson, G., and Gubbins, K.E., 1989, "Thermodynamic Properties of Alkanol + Alkane Mixtures from a Theoretically Based Equation of State," The Fifth International IUPAC Workshop on Vapor-Liquid Equilibria in 1-Alkanol + N-Alkane Mixtures, Trieste, Italy.

Johnson, J.K., and Rowley, R.L., 1988, "Vapor-Liquid Equilibria Predictions for Polar Fluids from Corresponding States," Tenth Symposium on Thermophysical Properties, Gaithersburg, Maryland.

Johnson, J.K., 2012, "Zwitterion-functionalized Carbon Nanotube Membranes," 02775.

Johnson, J.K., 2011, "Water-free fast proton transport membrane," 02467.