Course Description
Computer simulation algorithms including molecular dynamics and quantum molecular dynamics techniques. Student must write programs and analyze data for different ensembles.
Athena Title
COMP SIM MATERIALS
Prerequisite
PHYS 8601 or permission of department
Semester Course Offered
Not offered on a regular basis.
Grading System
A - F (Traditional)
Course Objectives
A student will be expected to have developed an understanding the fundamental aspects of deterministic simulation techniques and as well as substantial, practical problem-solving ability in their application to interacting atomic/molecular systems.
Topical Outline
1. Background and introduction to computer simulations 2. Molecular dynamics methods Microcanonical equation of motions Methods of solution 3. Potentials 4. Different ensembles 5. Advanced techniques 6. Simulations of molecular sytems 7. Applications to materials 8.
Syllabus
Public CV