Simulations and Dynamics for Nanoscale and Biological Systems

Research Project Outline

This is a comprehensive theoretical/computational research project to develop, validate, implement, and apply molecular quantum methods and models applicable to systems containing thousands of atoms with predictive accuracy. Simulations and dynamics will be realized for nanometer-scale molecules and biological systems with UTChem, a program suite for quantum chemistry. Theoretical/computational chemistry will open a world of new possibilities and will become an integral part of nanoscale science and biological chemistry.