Publications

Maithani, V.; Mukherjee, S.
Beyond LGPS: Superionic Conduction Meets Chemomechanical Anisotropy in Li₁₁AlP₂S₁₂ Solid-State Li-Ion Batteries.
Acta Materialia (2026), 122132.

Maithani, V.; Das, S.; Mukherjee, S.
Cooperative Transport of Lithium in Disordered Li₁₀MP₂S₁₂ (M = Sn, Si) Electrolytes for Li-Ion Batteries.
Chemistry of Materials (2024), 36(21), 10537-10551.

Zhou, Q.; Maithani, V.; Prati, M.; Ippolito, S.; Creighton, M. A.; Gogotsi, Y.; Mukherjee, S.; Cao, C.
Interfacial Shear Strength of MXene Interfaces.
Cell Reports Physical Science (2025), 6(10), 102872.

Anuragi, A.; Das, A.; Baski, A.; Maithani, V.; Mukherjee, S.
Machine Learning Predicted Inelasticity in Defective Two-Dimensional Transition Metal Dichalcogenides Using SHAP Analysis.
Physical Chemistry Chemical Physics (2024), 26, 15316-15331.

Maithani, V.; Das, S.; Mukherjee, S.

Anharmonicity-Correlated Liquid-Like Lithium Transport and Electrochemical Stability in Halide Solid Electrolytes.

Under review at PRX Energy. 

AiMat Summer School on Machine Learning for Materials, Karlsruhe Institute of Technology, Germany (2025). Poster presentation.

CAMD Summer School on Electronic Structure Theory and Materials Design, Technical University of Denmark, Denmark (2024).

International Conference on 60 Years of Density Functional Theory, IIT Mandi, India (2024).