14 citations · 19 across the 3 of their papers we have counts for
3 papers
Unveiling the Lithium-Ion Transport Mechanism in Li2ZrCl6 Solid-State Electrolyte via Deep Learning-Accelerated Molecular Dynamics Simulations
Hanzeng Guo, Volodymyr Koverga, Selva Chandrasekaran Selvaraj +1
Lithium zirconium chlorides (LZCs) present a promising class of cost-effective solid electrolyte for next-generation all-solid-state batteries. The unique crystal structure of LZCs…
Exploring Li-ion Transport Properties of LiTiCl: A Machine Learning Molecular Dynamics Study
Selva Chandrasekaran Selvaraj, Volodymyr Koverga, Anh T. Ngo
We performed large-scale molecular dynamics simulations based on a machine-learning force field (MLFF) to investigate the Li-ion transport mechanism in cation-disordered LiTiCl…
Impact of Electron-Withdrawing Groups on Ion Transport and Structure in Lithium Borate Ionic Liquids
Volodymyr Koverga, Selvaraj S. Chandrasekaran, Anh T. Ngo
Among the distinctive structural features of lithium ionic liquids (LILs), a novel class of single-component electrolytes, the variation of the electron-withdrawing group stands ou…