Research

The main research direction of this laboratory is to use various computational methods (including Monte Carlo methods, molecular dynamics and quantum chemistry) and machine learning approaches to explore materials properties and to design new materials. The materials we study includes:

1. Two-dimensional (2D) materials for energy-related applications such as li-ion batteries or photocatalytic applications.

2. Study the adsorption properties of porous materials including improving methods for determining their surface area and pore size distribution.

3. Exploring the applications of methane hydrates.