S. C. Selvaraj

activity

20242026

most citedExploring Li-ion Transport Properties of Li

_{3}

TiCl

_{6}

: A Machine Learning Molecular Dynamics Study

14 citations · 26 across the 7 of their papers we have counts for

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2 papers · 1 filter

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…

cond-mat.mtrl-sci2024★ 14 cited

Exploring Li-ion Transport Properties of Li $_{3}$ TiCl $_{6}$ : 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 Li $_{3}$ TiCl…

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

Exploring Li-ion Transport Properties of Li3​TiCl6​: A Machine Learning Molecular Dynamics Study

Exploring Li-ion Transport Properties of Li $_{3}$ TiCl $_{6}$ : A Machine Learning Molecular Dynamics Study