headshot of Christopher Wilmer

Christopher Wilmer

Associate Professor
William Kepler Whiteford Faculty Fellow
Dr. Wilmer's Website Chem/Petroleum Engineering


(2013) AIChE Computational Molecular Science & Engineering Graduate Student Award.

(2012) ACS Excellence in Graduate Research Award, Energy & Fuels.

(2012) Kleiner Perkins Clean Tech Innovation Prize.

(2012) Forbes' 30-under-30 in energy innovation.

(2012) Grand Prize, Rice Business Plan Competition.

(2011) NSF International Science & Engineering Visualization Challenge Winner.

(2011) Perkins Coie Innovative Minds Award.

PhD, Chemical & Biological Engineering, Northwestern University, 2007 - 2013

BASc, Engineering Science, University of Toronto, 2002 - 2007

Boone, P., He, Y., Lieber, A.R., Steckel, J.A., Rosi, N.L., Hornbostel, K.M., & Wilmer, C.E. (2022). Designing optimal core-shell MOFs for direct air capture. NANOSCALE, 14(43), 16085-16096.Royal Society of Chemistry (RSC). doi: 10.1039/d2nr03177a.

DeCoster, M.E., Babaei, H., Jung, S.S., Hassan, Z.M., Gaskins, J.T., Giri, A., Tiernan, E.M., Tomko, J.A., Baumgart, H., Norris, P.M., McGaughey, A.J.H., Wilmer, C.E., Redel, E., Giri, G., & Hopkins, P.E. (2022). Hybridization from Guest-Host Interactions Reduces the Thermal Conductivity of Metal-Organic Frameworks. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 144(8), 3603-3613.American Chemical Society (ACS). doi: 10.1021/jacs.1c12545.

Qin, P., Day, B.A., Okur, S., Li, C., Chandresh, A., Wilmer, C.E., & Heinke, L. (2022). VOC Mixture Sensing with a MOF Film Sensor Array: Detection and Discrimination of Xylene Isomers and Their Ternary Blends. ACS SENSORS, 7(6), 1666-1675.American Chemical Society (ACS). doi: 10.1021/acssensors.2c00301.

An, Y., Kleinhammes, A., Doyle, P., Chen, E.Y., Song, Y., Morris, A.J., Gibbons, B., Cai, M., Johnson, J.K., Shukla, P.B., Vo, M.N., Wei, X., Wilmer, C.E., Ruffley, J.P., Huang, L., Tovar, T.M., Mahle, J.J., Karwacki, C.J., & Wu, Y. (2021). In Situ Nuclear Magnetic Resonance Investigation of Molecular Adsorption and Kinetics in Metal-Organic Framework UiO-66. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 12(2), 892-899.American Chemical Society (ACS). doi: 10.1021/acs.jpclett.0c03504.

Boone, P., & Wilmer, C.E. (2021). Toward comprehensive exploration of the physisorption space in porous pseudomaterials using an iterative mutation search algorithm. JOURNAL OF CHEMICAL PHYSICS, 155(23), 234114.AIP Publishing. doi: 10.1063/5.0064378.

Day, B.A., & Wilmer, C.E. (2021). Computational Design of MOF-Based Electronic Noses for Dilute Gas Species Detection: Application to Kidney Disease Detection. ACS SENSORS, 6(12), 4425-4434.American Chemical Society (ACS). doi: 10.1021/acssensors.1c01808.

Salmon, D., Babbitt, C.W., Babbitt, G.A., & Wilmer, C.E. (2021). A framework for modeling fraud in E-waste management. RESOURCES CONSERVATION AND RECYCLING, 171, 105613.Elsevier BV. doi: 10.1016/j.resconrec.2021.105613.

White, D.L., Day, B.A., Zeng, Z., Schulte, Z.M., Borland, N.R., Rosi, N.L., Wilmer, C.E., & Star, A. (2021). Size Discrimination of Carbohydrates via Conductive Carbon Nanotube@Metal Organic Framework Composites. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 143(21), 8022-8033.American Chemical Society (ACS). doi: 10.1021/jacs.1c01673.

Babaei, H., DeCoster, M.E., Jeong, M., Hassan, Z.M., Islamoglu, T., Baumgart, H., McGaughey, A.J.H., Redel, E., Farha, O.K., Hopkins, P.E., Malen, J.A., & Wilmer, C.E. (2020). Observation of reduced thermal conductivity in a metal-organic framework due to the presence of adsorbates. NATURE COMMUNICATIONS, 11(1), 4010.Springer Science and Business Media LLC. doi: 10.1038/s41467-020-17822-0.

Babaei, H., Lee, J.H., Dods, M.N., Wilmer, C.E., & Long, J.R. (2020). Enhanced Thermal Conductivity in a Diamine-Appended Metal-Organic Framework as a Result of Cooperative CO2 Adsorption. ACS APPLIED MATERIALS & INTERFACES, 12(40), 44617-44621.American Chemical Society (ACS). doi: 10.1021/acsami.0c10233.

Chao, Z., Sezginel, K.B., Xu, K., Crouch, G.M., Gray, A.E., Wilmer, C.E., Bohn, P.W., Go, D.B., & Fullerton-Shirey, S.K. (2020). Silver Nanofilament Formation Dynamics in a Polymer-Ionic Liquid Thin Film by Direct Write. ADVANCED FUNCTIONAL MATERIALS, 30(6), 1907950.Wiley. doi: 10.1002/adfm.201907950.

Day, B.A., & Wilmer, C.E. (2020). Genetic Algorithm Design of MOF-based Gas Sensor Arrays for CO2-in-Air Sensing. SENSORS, 20(3), 924.MDPI AG. doi: 10.3390/s20030924.

Islamov, M., Babaei, H., & Wilmer, C.E. (2020). Influence of Missing Linker Defects on the Thermal Conductivity of Metal-Organic Framework HKUST-1. ACS APPLIED MATERIALS & INTERFACES, 12(50), 56172-56177.American Chemical Society (ACS). doi: 10.1021/acsami.0c16127.

Sezginel, K.B., & Wilmer, C.E. (2020). Modeling diffusion of nanocars on a Cu (110) surface. MOLECULAR SYSTEMS DESIGN & ENGINEERING, 5(7), 1186-1192.Royal Society of Chemistry (RSC). doi: 10.1039/c9me00171a.

Sezginel, K.B., Lee, S., Babaei, H., & Wilmer, C.E. (2020). Effect of Flexibility on Thermal Transport in Breathing Porous Crystals. JOURNAL OF PHYSICAL CHEMISTRY C, 124(34), 18604-18608.American Chemical Society (ACS). doi: 10.1021/acs.jpcc.0c04353.

Wardzala, J.J., Ruffley, J.P., Goodenough, I., Schmidt, A.M., Shukla, P.B., Wei, X., Bagusetty, A., De Souza, M., Das, P., Thompson, D.J., Karwacki, C.J., Wilmer, C.E., Borguet, E., Rosi, N.L., & Johnson, J.K. (2020). Modeling of Diffusion of Acetone in UiO-66. JOURNAL OF PHYSICAL CHEMISTRY C, 124(52), 28469-28478.American Chemical Society (ACS). doi: 10.1021/acs.jpcc.0c07040.

Boone, P., Babaei, H., & Wilmer, C.E. (2019). Heat Flux for Many-Body Interactions: Corrections to LAMMPS. JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 15(10), 5579-5587.American Chemical Society (ACS). doi: 10.1021/acs.jctc.9b00252.

Budhathoki, S., Ajayi, O., Steckel, J.A., & Wilmer, C.E. (2019). High-throughput computational prediction of the cost of carbon capture using mixed matrix membranes. ENERGY & ENVIRONMENTAL SCIENCE, 12(4), 1255-1264.Royal Society of Chemistry (RSC). doi: 10.1039/c8ee02582g.

Gustafson, J.A., & Wilmer, C.E. (2019). Intelligent Selection of Metal-Organic Framework Arrays for Methane Sensing via Genetic Algorithms. ACS SENSORS, 4(6), 1586-1593.American Chemical Society (ACS). doi: 10.1021/acssensors.9b00268.

Sturluson, A., Huynh, M.T., Kaija, A.R., Laird, C., Yoon, S., Hou, F., Feng, Z., Wilmer, C.E., Colon, Y.J., Chung, Y.G., Siderius, D.W., & Simon, C.M. (2019). The role of molecular modelling and simulation in the discovery and deployment of metal-organic frameworks for gas storage and separation(dagger). MOLECULAR SIMULATION, 45(14-15), 1082-1121.Informa UK Limited. doi: 10.1080/08927022.2019.1648809.

Babaei, H., McGaughey, A.J.H., & Wilmer, C.E. (2018). Transient Mass and Thermal Transport during Methane Adsorption into the Metal Organic Framework HKUST-1. ACS APPLIED MATERIALS & INTERFACES, 10(3), 2400-2406.American Chemical Society (ACS). doi: 10.1021/acsami.7b13605.

Gustafson, J.A., & Wilmer, C.E. (2018). Optimizing information content in MOF sensor arrays for analyzing methane-air mixtures. SENSORS AND ACTUATORS B-CHEMICAL, 267, 483-493.Elsevier BV. doi: 10.1016/j.snb.2018.04.049.

Kaija, A.R., & Wilmer, C.E. (2018). High-Pressure Methane Adsorption in Porous Lennard-Jones Crystals. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 9(15), 4275-4281.American Chemical Society (ACS). doi: 10.1021/acs.jpclett.8b01421.

Sezginel, K.B., Asinger, P.A., Babaei, H., & Wilmer, C.E. (2018). Thermal Transport in Interpenetrated Metal-Organic Frameworks. CHEMISTRY OF MATERIALS, 30(7), 2281-2286.American Chemical Society (ACS). doi: 10.1021/acs.chemmater.7b05015.

Addicoat, M., Butler, K., Farha, O., Gagliardi, L., Hajiahmadi Farmahini, A., Hendon, C., Jorge, M., Kitagawa, S., Lamberti, C., Lee, J.S.M., Li, J., Liu, X., Moggach, S., Ranocchiari, M., Sarkisov, L., Shevlin, S., Stassen, I., Svane, K., Volkmer, D., Walsh, A., Wilmer, C., & Yaghi, O.M. (2017). MOFs modeling and theory: general discussion. Faraday Discuss, 201, 233-245.Royal Society of Chemistry (RSC). doi: 10.1039/c7fd90045g.

Babaei, H., McGaughey, A.J.H., & Wilmer, C.E. (2017). Effect of pore size and shape on the thermal conductivity of metal-organic frameworks. CHEMICAL SCIENCE, 8(1), 583-589.Royal Society of Chemistry (RSC). doi: 10.1039/c6sc03704f.

Gustafson, J.A., & Wilmer, C.E. (2017). Computational Design of Metal Organic Framework Arrays for Gas Sensing: Influence of Array Size and Composition on Sensor Performance. JOURNAL OF PHYSICAL CHEMISTRY C, 121(11), 6033-6038.American Chemical Society (ACS). doi: 10.1021/acs.jpcc.6b09740.

Kaija, A.R., & Wilmer, C.E. (2017). Efficiently mapping structure-property relationships of gas adsorption in porous materials: application to Xe adsorption. FARADAY DISCUSSIONS, 201, 221-232.Royal Society of Chemistry (RSC). doi: 10.1039/c7fd00038c.

Sezginel, K.B., Feng, T., & Wilmer, C.E. (2017). Discovery of hypothetical hetero-interpenetrated MOFs with arbitrarily dissimilar topologies and unit cell shapes. CRYSTENGCOMM, 19(31), 4497-4504.Royal Society of Chemistry (RSC). doi: 10.1039/c7ce00290d.

Babaei, H., & Wilmer, C.E. (2016). Mechanisms of Heat Transfer in Porous Crystals Containing Adsorbed Gases: Applications to Metal-Organic Frameworks. PHYSICAL REVIEW LETTERS, 116(2), 025902.American Physical Society (APS). doi: 10.1103/PhysRevLett.116.025902.

Park, H.J., So, M.C., Gosztola, D., Wiederrecht, G.P., Emery, J.D., Martinson, A.B.F., Er, S., Wilmer, C.E., Vermeulen, N.A., Aspuru-Guzik, A., Stoddart, J.F., Farha, O.K., & Hupp, J.T. (2016). Layer-by-Layer Assembled Films of Perylene Diimide- and Squaraine-Containing Metal-Organic Framework-like Materials: Solar Energy Capture and Directional Energy Transfer. ACS APPLIED MATERIALS & INTERFACES, 8(38), 24983-24988.American Chemical Society (ACS). doi: 10.1021/acsami.6b03307.

Bae, Y.S., Liu, J., Wilmer, C.E., Sun, H., Dickey, A.N., Kim, M.B., Benin, A.I., Willis, R.R., Barpaga, D., LeVan, M.D., & Snurr, R.Q. (2014). The effect of pyridine modification of Ni-DOBDC on CO2 capture under humid conditions. CHEMICAL COMMUNICATIONS, 50(25), 3296-3298.Royal Society of Chemistry (RSC). doi: 10.1039/c3cc44954h.

Colon, Y.J., Fairen-Jimenez, D., Wilmer, C.E., & Snurr, R.Q. (2014). High-Throughput Screening of Porous Crystalline Materials for Hydrogen Storage Capacity near Room Temperature. JOURNAL OF PHYSICAL CHEMISTRY C, 118(10), 5383-5389.American Chemical Society (ACS). doi: 10.1021/jp4122326.

Gomez-Gualdron, D.A., Wilmer, C.E., Farha, O.K., Hupp, J.T., & Snurr, R.Q. (2014). Exploring the Limits of Methane Storage and Delivery in Nanoporous Materials. JOURNAL OF PHYSICAL CHEMISTRY C, 118(13), 6941-6951.American Chemical Society (ACS). doi: 10.1021/jp502359q.

Karagiaridi, O., Bury, W., Fairen-Jimenez, D., Wilmer, C.E., Sarjeant, A.A., Hupp, J.T., & Farha, O.K. (2014). Enhanced Gas Sorption Properties and Unique Behavior toward Liquid Water in a Pillared-Paddlewheel Metal-Organic Framework Transmetalated with Ni(II). INORGANIC CHEMISTRY, 53(19), 10432-10436.American Chemical Society (ACS). doi: 10.1021/ic501467w.

Kennedy, R.D., Clingerman, D.J., Morris, W., Wilmer, C.E., Sarjeant, A.A., Stern, C.L., O'Keeffe, M., Snurr, R.Q., Hupp, J.T., Farha, O.K., & Mirkin, C.A. (2014). Metallacarborane-Based Metal-Organic Framework with a Complex Topology. CRYSTAL GROWTH & DESIGN, 14(3), 1324-1330.American Chemical Society (ACS). doi: 10.1021/cg401817g.

Wilmer, C.E., & Snurr, R.Q. (2014). Large-Scale Generation and Screening of Hypothetical Metal-Organic Frameworks for Applications in Gas Storage and Separations. PREDICTION AND CALCULATION OF CRYSTAL STRUCTURES: METHODS AND APPLICATIONS, 345, 257-289.Springer International Publishing. doi: 10.1007/128_2013_490.

Fernandez, M., Woo, T.K., Wilmer, C.E., & Snurr, R.Q. (2013). Large-Scale Quantitative Structure-Property Relationship (QSPR) Analysis of Methane Storage in Metal-Organic Frameworks. JOURNAL OF PHYSICAL CHEMISTRY C, 117(15), 7681-7689.American Chemical Society (ACS). doi: 10.1021/jp4006422.

Kennedy, R.D., Krungleviciute, V., Clingerman, D.J., Mondloch, J.E., Peng, Y., Wilmer, C.E., Sarjeant, A.A., Snurr, R.Q., Hupp, J.T., Yildirim, T., Farha, O.K., & Mirkin, C.A. (2013). Carborane-Based Metal-Organic Framework with High Methane and Hydrogen Storage Capacities. CHEMISTRY OF MATERIALS, 25(17), 3539-3543.American Chemical Society (ACS). doi: 10.1021/cm4020942.

Peng, Y., Srinivas, G., Wilmer, C.E., Eryazici, I., Snurr, R.Q., Hupp, J.T., Yildirim, T., & Farha, O.K. (2013). Simultaneously high gravimetric and volumetric methane uptake characteristics of the metal-organic framework NU-111. CHEMICAL COMMUNICATIONS, 49(29), 2992-2994.Royal Society of Chemistry (RSC). doi: 10.1039/c3cc40819a.

Son, H.J., Jin, S., Patwardhan, S., Wezenberg, S.J., Jeong, N.C., So, M., Wilmer, C.E., Sarjeant, A.A., Schatz, G.C., Snurr, R.Q., Farha, O.K., Wiederrecht, G.P., & Hupp, J.T. (2013). Light-Harvesting and Ultrafast Energy Migration in Porphyrin-Based Metal-Organic Frameworks. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 135(2), 862-869.American Chemical Society (ACS). doi: 10.1021/ja310596a.

Wilmer, C.E., Farha, O.K., Yildirim, T., Eryazici, I., Krungleviciute, V., Sarjeant, A.A., Snurr, R.Q., & Hupp, J.T. (2013). Gram-scale, high-yield synthesis of a robust metal-organic framework for storing methane and other gases. ENERGY & ENVIRONMENTAL SCIENCE, 6(4), 1158-1163.Royal Society of Chemistry (RSC). doi: 10.1039/c3ee24506c.

Farha, O.K., Eryazici, I., Jeong, N.C., Hauser, B.G., Wilmer, C.E., Sarjeant, A.A., Snurr, R.Q., Nguyen, S.T., Yazaydin, A.O., & Hupp, J.T. (2012). Metal-Organic Framework Materials with Ultrahigh Surface Areas: Is the Sky the Limit?. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 134(36), 15016-15021.American Chemical Society (ACS). doi: 10.1021/ja3055639.

Farha, O.K., Wilmer, C.E., Eryazici, I., Hauser, B.G., Parilla, P.A., O'Neill, K., Sarjeant, A.A., Nguyen, S.T., Snurr, R.Q., & Hupp, J.T. (2012). Designing Higher Surface Area Metal-Organic Frameworks: Are Triple Bonds Better Than Phenyls?. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 134(24), 9860-9863.American Chemical Society (ACS). doi: 10.1021/ja302623w.

Forgan, R.S., Smaldone, R.A., Gassensmith, J.J., Furukawa, H., Cordes, D.B., Li, Q., Wilmer, C.E., Botros, Y.Y., Snurr, R.Q., Slawin, A.M.Z., & Stoddart, J.F. (2012). Nanoporous Carbohydrate Metal-Organic Frameworks. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 134(1), 406-417.American Chemical Society (ACS). doi: 10.1021/ja208224f.

Gassensmith, J.J., Smaldone, R.A., Forgan, R.S., Wilmer, C.E., Cordes, D.B., Botros, Y.Y., Slawin, A.M.Z., Snurr, R.Q., & Stoddart, J.F. (2012). Polyporous Metal-Coordination Frameworks. ORGANIC LETTERS, 14(6), 1460-1463.American Chemical Society (ACS). doi: 10.1021/ol300199a.

Getman, R.B., Bae, Y.S., Wilmer, C.E., & Snurr, R.Q. (2012). Review and Analysis of Molecular Simulations of Methane, Hydrogen, and Acetylene Storage in Metal-Organic Frameworks. CHEMICAL REVIEWS, 112(2), 703-723.American Chemical Society (ACS). doi: 10.1021/cr200217c.

Sikora, B.J., Wilmer, C.E., Greenfield, M.L., & Snurr, R.Q. (2012). Thermodynamic analysis of Xe/Kr selectivity in over 137 000 hypothetical metal-organic frameworks. CHEMICAL SCIENCE, 3(7), 2217-2223.Royal Society of Chemistry (RSC). doi: 10.1039/c2sc01097f.

Wilmer, C.E., Farha, O.K., Bae, Y.S., Hupp, J.T., & Snurr, R.Q. (2012). Structure-property relationships of porous materials for carbon dioxide separation and capture. ENERGY & ENVIRONMENTAL SCIENCE, 5(12), 9849-9856.Royal Society of Chemistry (RSC). doi: 10.1039/c2ee23201d.

Wilmer, C.E., Kim, K.C., & Snurr, R.Q. (2012). An Extended Charge Equilibration Method. JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 3(17), 2506-2511.American Chemical Society (ACS). doi: 10.1021/jz3008485.

Wilmer, C.E., Kim, K.C., & Snurr, R.Q. (2012). An Extended Charge Equilibration Method (vol 3, pg 2506, 2012). JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 3(19), 2897.American Chemical Society (ACS). doi: 10.1021/jz301439a.

Wilmer, C.E., Leaf, M., Lee, C.Y., Farha, O.K., Hauser, B.G., Hupp, J.T., & Snurr, R.Q. (2012). Large-scale screening of hypothetical metal-organic frameworks. NATURE CHEMISTRY, 4(2), 83-89.Springer Science and Business Media LLC. doi: 10.1038/NCHEM.1192.

Wilmer, C.E., & Snurr, R.Q. (2011). Towards rapid computational screening of metal-organic frameworks for carbon dioxide capture: Calculation of framework charges via charge equilibration. CHEMICAL ENGINEERING JOURNAL, 171(3), 775-781.Elsevier BV. doi: 10.1016/j.cej.2010.10.035.

Walker, D.A., Wilmer, C.E., Kowalczyk, B., Bishop, K.J.M., & Grzybowski, B.A. (2010). Precision Assembly of Oppositely and Like-Charged Nanoobjects Mediated by Charge-Induced Dipole Interactions. NANO LETTERS, 10(6), 2275-2280.American Chemical Society (ACS). doi: 10.1021/nl1012079.

Bishop, K.J.M., Wilmer, C.E., Soh, S., & Grzybowski, B.A. (2009). Nanoscale Forces and Their Uses in Self-Assembly. SMALL, 5(14), 1600-1630.Wiley. doi: 10.1002/smll.200900358.

Grzybowski, B.A., Bishop, K.J.M., Kowalczyk, B., & Wilmer, C.E. (2009). The 'wired' universe of organic chemistry. NATURE CHEMISTRY, 1(1), 31-36.Springer Science and Business Media LLC. doi: 10.1038/NCHEM.136.

Grzybowski, B.A., Wilmer, C.E., & Fialkowski, M. (2009). Mechanical and electrical properties of nanostructured 'plastic metals'. JOURNAL OF NON-CRYSTALLINE SOLIDS, 355(24-27), 1313-1317.Elsevier BV. doi: 10.1016/j.jnoncrysol.2009.05.035.

Grzybowski, B.A., Wilmer, C.E., Kim, J., Browne, K.P., & Bishop, K.J.M. (2009). Self-assembly: from crystals to cells. SOFT MATTER, 5(6), 1110-1128.Royal Society of Chemistry (RSC). doi: 10.1039/b819321p.

Devkota, J., Ohodnicki, P.R., Gustafson, J.A., Wilmer, C.E., & Greve, D.W. (2019). Designing a SAW Sensor Array with MOF Sensing Layers for Carbon Dioxide and Methane. In 2019 Joint Conference of the IEEE International Frequency Control Symposium and European Frequency and Time Forum (EFTF/IFC).IEEE. doi: 10.1109/fcs.2019.8856088.

Bae, Y.S., Wilmer, C.E., Yazaydin, A.O., & Snurr, R.Q. (2011). Molecular modeling and systematic evaluation of metal-organic frameworks for CO 2 capture. In ACS National Meeting Book of Abstracts.

Research interests

computational materials discovery
hypothetical materials
molecular modeling