Research Staff

Jigyasa Nigam, Ph.D.

Associate Research Scientist, Initiative for Computational Catalysis

Initiative for Computational Catalysis

Email: [email protected]
Website: curiosity54.github.io

Bio

Jigyasa Nigam joined ICC at the end of June 2026 as an Associate Research Scientist. Before joining the Flatiron Institute, Jigyasa was an Engineering Excellence postdoc fellow at MIT and earned her PhD in Physics from EPFL in 2024. Her research focuses on developing physics-informed machine learning methods for atomistic systems. She is particularly interested in bridging machine learning with first-principles methods to accelerate computational chemistry and materials discovery.

Events

Machine Learning for Computational Catalysis

Workshop

November 16–18, 2026

Speakers

Angel Rubio, Timothy Berkelbach, Jutta Rogal, Ankit Mahajan, Diptarka Hait, + 2 more

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Related People

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Timothy Berkelbach

Co-Director, Initiative for Computational Catalysis

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Kyle Bystrom

Flatiron Research Fellow, Initiative for Computational Catalysis

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Sijia Chen

Flatiron Research Fellow, Initiative for Computational Catalysis

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Colin Egan

Flatiron Research Fellow, Initiative for Computational Catalysis

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Diptarka Hait

Associate Research Scientist, Initiative for Computational Catalysis

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Yu Jin

Flatiron Research Fellow, Initiative for Computational Catalysis

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Chatipat Lorpaiboon

Flatiron Research Fellow, Initiative for Computational Catalysis

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Ankit Mahajan

Associate Research Scientist, Center for Computational Quantum Physics/Initiative for Computational Catalysis

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Caitlin McCandler

Flatiron Research Fellow, Initiative for Computational Catalysis

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Phillip Pope

Flatiron Research Fellow, Initiative for Computational Catalysis

Initiative for Computational Catalysis

We develop and apply computational techniques to enable the rational design of more efficient and affordable catalysts.

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