Mathematics Colloquium

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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.

Synopsis:

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.