College of Science & Engineering
These researchers are using accurate quantum chemistry calculations to study the properties of novel materials. The types of calculations include DFT methods and molecular dynamics simulations. Current projects include:
- Studies of metal-organic framework (MOFs) and covalent-organic frameworks (COFs) and freestanding 2D monolayers; these materials may have interesting melting, physical, or optical properties
- The geometry and dynamics of small clusters
- High temperature melting materials
- Single atom catalysts
- CO2 absorption onto MOFs
Research by this group was featured on the MSI website in May 2015: A Novel Two-Dimensional Copper-Silicon Material.