267 citations · 848 across the 20 of their papers we have counts for
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physics.comp-ph2015★ 2 cited
Adaptive local basis set for Kohn-Sham density functional theory in a discontinuous Galerkin framework II: Force, vibration, and molecular dynamics calculations
Gaigong Zhang, Lin Lin, Wei Hu +2
Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn-Sham density functional theory in a pseudopotential framework. The adapt…
physics.comp-ph2015★ 87 cited
DGDFT: A Massively Parallel Method for Large Scale Density Functional Theory Calculations
Wei Hu, Lin Lin, Chao Yang
We describe a massively parallel implementation of the recently developed discontinuous Galerkin density functional theory (DGDFT) [J. Comput. Phys. 2012, 231, 2140] method, for ef…