Thomas E. Markland

(Stanford University)

Abstract:
The path integral formulation of quantum mechanics provides a physically intuitive and computationally efficient approach to including nuclear quantum effects (such as tunnelling and zero-point energy) for static and dynamic properties in molecular simulations. These lectures will assume a basic understanding (at the undergraduate level) of quantum mechanics, statistical mechanics, and classical molecular dynamics simulations, and will show how the path integral formalism can be derived and used in molecular simulations to calculate both static and dynamic properties.
 

Note: Lecture contents may shift due to time constraints.