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Prabhat Prakash

Prabhat Prakash

Postdoc

2022 - Present
Postdocs
5Publications
24Citations
Publication Timeline
2021: 1 paper
2022: 0 papers
2023: 0 papers
2024: 0 papers
2025: 2 papers
2026: 2 papers
20212026

Ph.D., Indian Institute of Science Education and Research Pune, India

Prabhat Prakash is a Postdoctoral Research Associate in Prof. William A. Goddard III's group at Caltech, where he works within the DOE Liquid Sunlight Alliance (LiSA) hub. His research uses first-principles simulation and ReaxFF/machine-learning potentials to understand ion transport, interfacial electrochemistry, and catalysis, spanning solid-state electrolytes, CO₂ reduction, and critical-metal separations. He earned his Ph.D. in theoretical physical chemistry from IISER Pune in 2020. He has published in Nature Materials, JACS, and Science Advances, and serves as a reviewer of Royal Society of Chemistry, American Chemical Society, Elsevier and Taylor & Francis journals. At Caltech he co-instructs Ch121a (https://github.com/ppt-2/Ch121a-DFT), where he redesigned the course in three different modules with hands-on exercises. He also mentors several researchers from high-school to doctoral level.

Publications

2026

2 papers

Interfacial Polymerization of TEPA and HMDI: The Role of Water

Biyuan Liu, Yonglin Zhang, Ying Zhao, Prabhat Prakash, Liyuan Huai, et al.

#1751·2026·ACS Catalysis·1

Nanoconfined Grain Boundaries Increase the Conductivity of Polycrystalline Molecular Crystals

Shujit Chandra Paul, William A. Goddard III, Michael J. Zdilla, Prabhat Prakash, Stephanie L. Wunder

#1749·2026·ACS Materials Letters·3

2025

2 papers

Effect of Anion Mass on Conductivity and Lithium-Ion Transference Number in the Isomorphic Cocrystals (Adpn)₂LiXF₆ (Adpn = Adiponitrile, X = P, As, Sb)

Birane Fall, Laura A. Sonnenberg, Jordan R. Aguirre, Shujit Chandra Paul, Prabhat Prakash, et al.

#1688·2025·Chemistry of Materials·9

Recombination of Autodissociated Water Ions in a Nanoscale Pure Water Droplet

Soonho Kwon, Prabhat Prakash, Yixiang Cao, Frances A. Houle, William A. Goddard III

#1683·2025·J. Am. Chem. Soc.·4

2021

1 paper

Reaction Mechanism and Energetics of Decomposition of Tetrakis(1,3-dimethyltetrazol-5-imidoperchloratomanganese(II)) from Quantum-Mechanics-based Reactive Dynamics

Sergey V. Zybin, Sergey I. Morozov, Prabhat Prakash, Michael J. Zdilla, William A. Goddard III

#1494·2021·J. Am. Chem. Soc.·7