We will briefly discuss intermolecular potential models, methods for determination of free energies and phase transitions and specialized algorithms for polymers. Prerequisites Students are expected to have completed a course in thermodynamics. Familiarity with a high-level programming language will help, but is not a requirement. Books None required. Two helpful textbooks are listed below.
Much homework is based on implementing and producing simulation results for simple model potentials.
Programs to be distributed for the homework assignments will be available on the course web site. Grading Grades for the course will be based on the homework assignments as well as a more substantial project towards the end of the semester. Tentative course outline 1. Introduction Foundation Tools Elements of Fortran 90 programming Statistical mechanical ensembles 2. Sampling Canonical Ensemble Grand Canonical MC 3.