THE MONTEMORE RESEARCH GROUP
Computational Design of Materials for Energy
Our focus is developing and applying efficient methods for designing materials for energy applications. These materials include surfaces, nanoparticles, 2-D materials, interfaces, bulk materials, and liquids. Possible applications include catalysts, solar cells, batteries, and nanoscale devices.
We apply a variety of computational and theoretical tools, including density functional theory, thermodynamic and kinetic modelling, machine learning, and semi-empirical modelling.
Department of Chemical and Biomolecular Engineering
New Orleans, LA