Theory of Coarse-Graining and Multiscale Phenomena
Charge Transport
Renewable Energy Materials
Simulations of Biomolecular System
Software
OpenMSCG
An open-source package for multi-scale coarse-graining modeling in computational chemistry and biology (see detais).
RAPTOR
A LAMMPS plug-in package for multi-scale reactive molecular dynamics for proton transport process and other chemical reactions. (see detais).