210 citations · 1k across the 42 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…
cond-mat.mtrl-sci2015★ 210 cited
Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles and Classical Reactive Molecular Dynamics
Mitchell T. Ong, Osvalds Verners, Erik W. Draeger +3
Lithium-ion battery performance is strongly influenced by the ionic conductivity of the electrolyte, which depends on the speed at which Li ions migrate across the cell and relates…