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19952026
most citedAb initio Molecular Dynamics Simulations of the Initial Stages of Solid-electrolyte Interphase Formation on Lithium Ion Battery Graphitic Anodes

293 citations · 3.2k across the 36 of their papers we have counts for

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cond-mat.soft2005★ 115 cited

Ab initio Molecular Dynamics Study of Glycine Intramolecular Proton Transfer in Water

Kevin Leung, Susan B. Rempe

We use ab initio molecular dynamics simulations to quantify structural and thermodynamic properties of a model proton transfer reaction that converts a neutral glycine molecule, st…