Introduction to Molecular Simulations

 

Phillip Geissler and Berend Smit

Lectures: TuTh 2:00-3:30 pm

Location: 425 Latimer

 

Prerequisites: There are no formal prerequisites. However, we assume knowledge of Thermodynamics and basic Statistical Mechanics. We assume no prior programming experience.

 

Course Description: Molecular simulations are computer simulations that mimic the movements of molecules. This molecular information is used to predict the thermodynamic and transport properties of a material. Case studies are used to demonstrate how molecular simulations are used in modern science to study the folding of proteins, the swelling of clays deep down in the earth, or the separation and sequestration of carbondioxide.