most citedEnhancing ReaxFF for Molecular Dynamics Simulations of Lithium-Ion Batteries: An interactive reparameterization protocol

17 citations · 17 across the 1 of their papers we have counts for

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cond-mat.mtrl-sci2023★ 17 cited

Enhancing ReaxFF for Molecular Dynamics Simulations of Lithium-Ion Batteries: An interactive reparameterization protocol

Paolo De Angelis, Roberta Cappabianca, Matteo Fasano +2

Lithium-ion batteries (LIBs) are crucial for the green economy, powering portable electronics, electric vehicles, and renewable energy systems. The solid-electrolyte interphase (SE…