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19992026
most citedLithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles and Classical Reactive Molecular Dynamics

210 citations · 1k across the 42 of their papers we have counts for

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cond-mat.mtrl-sci2010★ 1 cited

Linear scaling solution of the all-electron Coulomb problem in solids

J. E. Pask, N. Sukumar, S. E. Mousavi

We present a linear scaling formulation for the solution of the all-electron Coulomb problem in crystalline solids. The resulting method is systematically improvable and well suite…