Starts 24 Feb 2026 14:00
Ends 24 Feb 2026 15:00
Central European Time
CMSP Lecture series - Path Integral Quantum Mechanics: From the Basics to the Latest Developments in the Era of Machine Learning - LECTURE 4
Luigi Stasi Seminar Room (Leonardo Building)
Thomas E. Markland
(Stanford University)
LECTURE 4
Path integral applications and their integration with machine learned
electronic potential energy surfaces
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.