31 citations · 43 across the 6 of their papers we have counts for
6 papers
A Diabatic Surface Hopping Algorithm based on Time Dependent Perturbation Theory and Semiclassical Analysis
Di Fang, Jianfeng Lu
Surface hopping algorithms are popular tools to study dynamics of the quantum-classical mixed systems. In this paper, we propose a surface hopping algorithm in diabatic representat…
Point cloud discretization of Fokker-Planck operators for committor functions
Rongjie Lai, Jianfeng Lu
The committor functions provide useful information to the understanding of transitions of a stochastic system between disjoint regions in phase space. In this work, we develop a po…
The Landscape of Complex Networks
E. Weinan, Jianfeng Lu, Yuan Yao
Topological landscape is introduced for networks with functions defined on the nodes. By extending the notion of gradient flows to the network setting, critical nodes of different…
Cauchy-Born rule and spin density wave for the spin-polarized Thomas-Fermi-Dirac-von Weizsacker model
Weinan E, Jianfeng Lu
The electronic structure (electron charges and spins) of a perfect crystal under external magnetic field is analyzed using the spin-polarized Thomas-Fermi-Dirac-von Weizsacker mode…
Effective Maxwell equations from time-dependent density functional theory
Weinan E, Jianfeng Lu, Xu Yang
The behavior of interacting electrons in a perfect crystal under macroscopic external electric and magnetic fields is studied. Effective Maxwell equations for the macroscopic elect…
Multipole Representation of the Fermi Operator with Application to the Electronic Structure Analysis of Metallic Systems
Lin Lin, Jianfeng Lu, Roberto Car +1
We propose a multipole representation of the Fermi-Dirac function and the Fermi operator, and use this representation to develop algorithms for electronic structure analysis of met…