PHYS 6204 - Methods of Molecular Modeling and Simulation in Physics

Numerical methods. Atomic models of soft-matter systems: liquids, polymers, and biomolecules. Molecular dynamics and Monte Carlo methods. Inter-particle potentials. Methods of efficient conformational sampling. Free energy calculations. Introduction to fundamental methods of molecular simulations designed to characterize and predict properties of microscopic systems in materials, physics, and biology. Classical simulations and their connection to experimentally measurable properties.

Credit Hours: (3)
Restriction(s): Permission of instructor.

Schedule of Classes