headshot of Mona Elsayed Moawad Abdelgaid

Mona Elsayed Moawad Abdelgaid

Researcher Graduate Student
Linkedin Twitter Chem/Petroleum Engineering


I am a Ph.D. candidate in the field of high-throughput computational design of heterogeneous catalysts at the Mpourmpakis Lab, University of Pittsburgh. Throughout my doctoral journey, I have harnessed the power of density functional theory, microkinetic modeling, and kinetic Monte Carlo simulations to unravel complex hydrocarbon dehydrogenation mechanisms on heterogeneous catalysts. I have developed a computational framework for descriptor-based screening of dehydrogenation catalysts. This research endeavor culminated in the discovery of novel aluminum nitride catalysts with remarkable dehydrogenation activity. I have also participated in multi-institutional collaborations, spearheading all computational efforts. As part of my graduate coursework and projects, I have applied machine learning techniques using Python, R, and MATLAB programming languages to address real-world challenges. In my current role as a Ph.D. candidate, I have supervised junior graduate students on various research projects while leading various computational funding proposals which have resulted in more than 9 million computational hours on multiple supercomputers being awarded to the Mpourmpakis Lab. Furthermore, serving as the Recruitment Chair of the Graduate Student Association in the ChE Department at the University of Pittsburgh, I coordinated the 2021 ChE Graduate Department recruiting weekend and organized social and volunteering events to promote community within the ChE graduate department.


Bachelor of Science, Chemical Engineering, Montana State University System, 2015 - 2019

Abdelgaid, M., Miu, E.V., Kwon, H., Kauppinen, M.M., Gronbeck, H., & Mpourmpakis, G. (2023). Multiscale modeling reveals aluminum nitride as an efficient propane dehydrogenation catalyst. CATALYSIS SCIENCE & TECHNOLOGY, 13(12), 3527-3536.Royal Society of Chemistry (RSC). doi: 10.1039/d2cy02173k.

Abdelgaid, M., & Mpourmpakis, G. (2022). Structure-Activity Relationships in Lewis Acid-Base Heterogeneous Catalysis. ACS CATALYSIS, 12(8), 4268-4289.American Chemical Society (ACS). doi: 10.1021/acscatal.2c00229.

Choudhary, N., Abdelgaid, M., Mpourmpakis, G., & Mobin, S.M. (2022). CuNi bimetallic nanocatalyst enables sustainable direct carboxylation reactions. MOLECULAR CATALYSIS, 530, 112620.Elsevier BV. doi: 10.1016/j.mcat.2022.112620.

Li, L., Ewing, C.S., Abdelgaid, M., Banerjee, S., Garza, R.B., Hacku, R., Hess, N.D., Hong, S., Islamov, M., Luciani, L.L., Papadopoulos, S., Parker, C., Patel, R.A., Pawar, R., Poklar, M.H., Salem, M., Shabnam, F., Shukla, P.B., Vena, S.K., Wang, H., Wang, R., Wei, X., Yang, F., & Johnson, J.K. (2021). Binding of CO and O on Low-Symmetry Pt Clusters Supported on Amorphous Silica. JOURNAL OF PHYSICAL CHEMISTRY C, 125(25), 13780-13787.American Chemical Society (ACS). doi: 10.1021/acs.jpcc.1c01452.

Abdelgaid, M., Dean, J., & Mpourmpakis, G. (2020). Improving alkane dehydrogenation activity on γ-Al2O3 through Ga doping. CATALYSIS SCIENCE & TECHNOLOGY, 10(21), 7194-7202.Royal Society of Chemistry (RSC). doi: 10.1039/d0cy01474e.