- Di Fang, The University of Wisconsin, Madison
Surface-hopping algorithms are popular tools to study dynamics of the quantum-classical mixed systems. In this talk, we will present a surface-hopping algorithm in diabatic representations, based on time-dependent perturbation theory and semiclassical analysis. The algorithm can be viewed as a Monte Carlo sampling algorithm on the semiclassical path space for a piecewise deterministic path with stochastic jumps between the energy surfaces. The algorithm is validated numerically, and it shows good performance in both weak-coupling and avoided-crossing regimes.
About the Speaker:
Di Fang is a PhD candidate in University of Wisconsin, Madison. Her research interest lies broadly in numerical computation and analysis of applied problems, including quantum systems, biological models, and stochastic differential equations.