Sudarshan Vijay
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sudarshan.vijay@iitb.ac.in
Education
Research Engineer and Developer, Vienna ab-initio Simulation Package (VASP) [2023-2025]
Post-doc (Materials Science) University of California Berkeley [2022-2023]
PhD (Physics) Technical University of Denmark [2022]
MS (Chemistry and Chemical Engineering) Carnegie Mellon University [2018]
BE (Chemical Engineering) Birla Institute of Technology and Science, Pilani [2017]
Research
Please visit the homepage of the Theoretical Electrocatalysis Group for information about the team and research.
We are actively recruiting at all levels! If you are interested in joining the Theoretical Electrocatalysis Group, please see here
Research Areas
Sub Areas
- Thermodynamics
- Catalysis
Awards & Honors
Selected Publications
Vijay, Sudarshan, Martin Schlipf, Henrique Miranda, Ferenc Karsai, Merzuk Kaltak, Martijn Marsman, and Georg Kresse. "Efficient periodic density functional theory calculations of charged molecules and surfaces using Coulomb kernel truncation." arXiv preprint arXiv:2501.02435 (2025).
Vijay, Sudarshan, Maxwell C. Venetos, Evan Walter Clark Spotte-Smith, Aaron D. Kaplan, Mingjian Wen, and Kristin A. Persson. "CoeffNet: predicting activation barriers through a chemically-interpretable, equivariant and physically constrained graph neural network." Chemical Science 15, no. 8 (2024): 2923-2936.
Vijay, Sudarshan, Georg Kastlunger, Karen Chan, and Jens K. Nørskov. "Limits to scaling relations between adsorption energies?." The Journal of Chemical Physics 156, no. 23 (2022).
Vijay, Sudarshan, Wen Ju, Sven Brückner, Sze-Chun Tsang, Peter Strasser, and Karen Chan. "Unified mechanistic understanding of CO2 reduction to CO on transition metal and single atom catalysts." Nature Catalysis 4, no. 12 (2021): 1024-1031.
Vijay, Sudarshan, Georg Kastlunger, Joseph A. Gauthier, Anjli Patel, and Karen Chan. "Force-based method to determine the potential dependence in electrochemical barriers." The Journal of Physical Chemistry Letters 13, no. 25 (2022): 5719-5725.