CHEM 523 - MOLECULAR DYNAMICS METHODS
Long Title: ADVANCED ANALYSIS METHODS FOR MOLECULAR DYNAMICS FROM STATISTICAL MECHANICS TO MACHINE LEARNING
Grade Mode: Standard Letter
Language of Instruction: Taught in English
Course Type: Lecture
Credit Hours: 1.5
Must be enrolled in one of the following Level(s):
Description: Enrollment is open to all students. Undergraduate enrollment requires instructor permission via special registration form. Modern methods to extract physical and chemical information from molecular dynamics simulation will be presented, including the determination of reaction coordinates, free energies calculations, and estimation of experimentally measureable observables. The theoretical background and different applications will be discussed. The students will apply the methods on practical examples.