Sibali Debnath
Biochemistry, Genetics and Molecular Biology · Indiana University
Publications
21
Citations
300
Est. group size
—
Recurring co-author estimate
Active years
8
Publishing since 2018
Sibali Debnath studies the chemistry of lithium-ion battery materials using computational methods, including quantum chemical calculations and machine learning models that predict how atoms and molecules behave. Recent work focuses on how lithium ions cluster in battery electrolytes and on the chemical reactions that cause electrolyte breakdown. The research combines detailed electronic-structure modeling with scalable computer simulation techniques.
Publication activity has been intermittent over the past decade, averaging about 2.4 papers per year over the last five years with a recent uptick in 2023 and 2025.
Generated by claude-opus-4-8 from public bibliographic data · Jul 11, 2026
- Evidence for significant multi-Li+ clustering in common lithium-ion battery electrolytes
ChemRxiv · 2025
- Evidence for significant multi-Li+ clustering in common lithium-ion battery electrolytes
ChemRxiv · 2025
- <i>(Invited)</i> Scalable and Generalizable Machine Learning Force Fields for Modeling Complex Battery Materials
ECS Meeting Abstracts · 2025
- Scalable Ab Initio Electronic Structure Methods with Near Chemical Accuracy for Main Group Chemistry
The Journal of Physical Chemistry A · 2024
- Accurate Quantum Chemical Reaction Energies for Lithium-Mediated Electrolyte Decomposition and Evaluation of Density Functional Approximations
The Journal of Physical Chemistry A · 2023
- Accurate quantum chemical reaction energies forlithium-mediated electrolyte decomposition andevaluation of density functional approximations
ChemRxiv · 2023
- Accurate quantum chemical reaction energies forlithium-mediated electrolyte decomposition andevaluation of density functional approximations
ChemRxiv · 2023
- The Journal of Physical Chemistry A×4
- ChemRxiv×4
- Journal of the American Chemical Society×2
- Journal of Chemical Theory and Computation×2
- The Journal of Physical Chemistry C×2
This profile was generated automatically from public scholarly data (OpenAlex). Group size and activity levels are estimates derived from co-authorship patterns.
Last updated Jul 11, 2026.
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