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

210 citations · 211 across the 2 of their papers we have counts for

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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…

cond-mat.mtrl-sci2011★ 1 cited

Path Integral Calculations of the Hydrogen Hugoniot Using Augmented Nodes

Saad A. Khairallah, J. Shumway, Erik W. Draeger

We calculate the hydrogen Hugoniot using ab initio path integral Monte Carlo. We introduce an efficient finite-temperature fixed-node approximation for handling fermions, which inc…