Computational Chemistry II

Catalog description

Molecular mechanics as a tool in biochemical and biophysical research. Statistical mechanics of equilibrium systems and enhanced sampling techniques in different thermodynamic ensembles will be reviewed. Strengths and limitations of commonly used methods will be explored. Prior programming experience is not required, but prior exposure to Linux will be helpful. Note that this course may be taken independently of A CHM 411. Prerequisite(s): A CHM 351 or 445 or A PHY 440 or 460, or permission of instructor.