Surface hopping algorithms for non-adiabatic quantum systems
Speaker: Jianfeng Lu, Duke University
Location: Warren Weaver Hall 1302
Date: Monday, December 10, 2018, 3:45 p.m.
Abstract: Surface hopping algorithm is widely used in chemistry for
mixed quantum-classical dynamics. In this talk, we will discuss some of
our recent works in mathematical understanding and algorithm development
for surface hopping methods. These methods are based on stochastic
approximations of semiclassical path-integral representation to the
solution of multi-level Schrodinger equations; such methodology also
extends to other high dimensional transport systems.