Molecular Sciences: Software Solutions

Explores advances in interatomic potentials for materials, focusing on accuracy, multi-scale modeling, and challenges in creating reactive potentials.

Protein Folding Simulations

Covers theory and practical applications of protein folding simulations using molecular dynamics, focusing on solvent effects and analysis of folding dynamics.

Molecular Dynamics Simulations

Explores potential energy surfaces in molecular dynamics simulations and the use of mixed quantum mechanical/molecular mechanical methods.