196 citations · 1.6k across the 143 of their papers we have counts for
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Analysis of the divide-and-conquer method for electronic structure calculations
Jingrun Chen, Jianfeng Lu
We study the accuracy of the divide-and-conquer method for electronic structure calculations. The analysis is conducted for a prototypical subdomain problem in the method. We prove…
Compression of the electron repulsion integral tensor in tensor hypercontraction format with cubic scaling cost
Jianfeng Lu, Lexing Ying
Electron repulsion integral tensor has ubiquitous applications in quantum chemistry calculations. In this work, we propose an algorithm which compresses the electron repulsion tens…
Diffusion approximations and domain decomposition method of linear transport equations: asymptotics and numerics
Qin Li, Jianfeng Lu, Weiran Sun
In this paper we construct numerical schemes to approximate linear transport equations with slab geometry by diffusion equations. We treat both the case of pure diffusive scaling a…
Emergence of step flow from atomistic scheme of epitaxial growth in 1+1 dimensions
Jianfeng Lu, Jian-Guo Liu, Dionisios Margetis
The Burton-Cabrera-Frank (BCF) model for the flow of line defects (steps) on crystal surfaces has offered useful insights into nanostructure evolution. This model has rested on phe…
A convergent method for linear half-space kinetic equations
Qin Li, Jianfeng Lu, Weiran Sun
We give a unified proof for the well-posedness of a class of linear half-space equations with general incoming data and construct a Galerkin method to numerically resolve this type…
Numerical scheme for a spatially inhomogeneous matrix-valued quantum Boltzmann equation
Jianfeng Lu, Christian B. Mendl
We develop an efficient algorithm for a spatially inhomogeneous matrix-valued quantum Boltzmann equation derived from the Hubbard model. The distribution functions are …