Mohammed M. Khan

MS Students

MS Student


Research Interests

Discovering new lead-free perovskite materials for solar cells applications using computational methods.

Selected Publications

  • Optimizing accuracy and efficacy in data-driven materials discovery for the solar production of hydrogen, Xiong, Y., Campbell, Q. T., Fanghanel, J., Badding, C. K., Wang, H., Kirchner-Hall, N. E., Theibault, M. J., Timrov, I., Mondschein, J. S., Seth, K., Katz, R., Villarino, A. M., Pamuk, B., Penrod, M. E., Khan, M. M., Rivera, T., Smith, N. C., Quintana, X., Orbe, P., … Dabo, I., Energy & Environmental Science. 14(4), 2335–2348 (2021) DOI: 10.1039/d0ee02984j.
  • Multi-Method Porosity and Pore Size Distribution Measurements of Source Rocks, Shannon L. Eichmann, David Jacobi, Poorna Srinivasan, Kevin Kenga, Mohammed Khan, Fabian Duque, and Felix Oyarzabal, American Institute of Chemical Engineers Annual Meeting (AIChE). 2021.
  • Improved Nanoscale Image-based Reservoir Characterization using Supervised Machine Learning, Shannon L. Eichmann, Poorna Srinivasan, Kevin Kenga, Mohammed M. Khan, Fabian Duque, Felix Oyarzabal, James Howard, and Shawn Zhang, Unconventional Resources Technology Conference (URTeC). 2021.


B.Sc., Materials Science and Engineering, Pennsylvania State University, State College, USA, 2021.

KAUST Affiliations

Research Interests Keywords

Solar cell Perovskites DFT First-Principles Calculations Lead-free materials