CHEME 5540 - Introduction to Molecular Simulation

Summer. 3 credits. Student option grading.

Prerequisite: introductory programming class (at the level of CS 1110).

P. Clancy.

This course is an introduction to molecular simulation that provides students with the ability to model chemical processes and materials representation at an atomic level. Students will receive a refresher of programming basics, focusing on practical skills like file editing and management within a Linux environment. Following this, students will learn the theory behind, and the practical application of, two of the most commonly used molecular simulation techniques: Monte Carlo and Molecular Dynamics. A series of computer labs will form the basis for grading. Course is suitable for students with a solid understanding of programming at the level of CS 1110, preferably with Python experience.