most citedUnveiling the Lithium-Ion Transport Mechanism in Li2ZrCl6 Solid-State Electrolyte via Deep Learning-Accelerated Molecular Dynamics Simulations

4 citations · 4 across the 2 of their papers we have counts for

collaborators

3 papers

cond-mat.mtrl-sci2025★ 4 cited

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…

cond-mat.mtrl-sci2025

Interactive Multiscale Modeling to Bridge Atomic Properties and Electrochemical Performance in Li-CO Battery Design

Mohammed Lemaalem, Selva Chandrasekaran Selvaraj, Ilias Papailias +5

Li-CO batteries are promising energy storage systems due to their high theoretical energy density and CO fixation capability, relying on reversible LiCO/C formation…

cond-mat.dis-nn2024

Graph Neural Networks Based Deep Learning for Predicting Structural and Electronic Properties

Selva Chandrasekaran Selvaraj

This study presents a deep learning approach to predicting structural and electronic properties of materials using Graph Neural Networks (GNNs). Leveraging data from the Materials…