CHEM4311 - Classical Simulations for Biological and Condensed Systems

CHEM 4311 Classical Simulations for Biological and Condensed Systems (3 semester credit hours) This course will focus on the application of the classical simulations to investigate and understand bio-related problems. The topics covered in this class include force field development, molecular dynamics (MD) simulations, free energy methods, and hybrid quantum mechanics and molecular mechanics (QM/MM) simulations. Prerequisites: (CHEM 3461 or BIOL 3461 or equivalent) and CHEM 3321 and CHEM 3322. (3-0) R