THE MONTEMORE RESEARCH GROUP
Computational Design of Materials for Energy
RESEARCH INTERESTS
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.
