Chemical Engineering
Multiscale simulations of applications in nanotechnology, water desalination, energy storage, and catalysis, using molecular dynamics, kinetic Monte Carlo, and density functional theory
- Development of kinetic and mechanistic models for the chemical vapor deposition growth of two-dimensional (2D) materials
- Predicting the shapes of nanopores and defects in 2D materials
- Electrocatalysis for sustainable energy conversion at 2D materials interfaces
- Development of force field models for ma