Tong Wang Research Group

Revolutionary AI2BMD system enabling ab initio accuracy for large biomolecules (>10,000 atoms) with orders of magnitude speedup, bridging quantum chemistry and classical molecular dynamics.

Equivariant geometry-enhanced graph neural networks and geometric transformers that elegantly extract geometric features and efficiently model molecular structures with low computational costs for drug discovery and molecular dynamics simulation.

Computational approaches for viral protein dynamics, drug-target interactions, and structural insights into pathogen evolution and therapeutic target identification.