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Activities

Employment (3)

Massachusetts Institute of Technology: Cambridge, US

2024-09 to present | Postdoc (RLE)
Employment
Source: Self-asserted source
Jigyasa Nigam

EPFL - École Polytechnique Fédérale de Lausanne: Lausanne, CH

2020 to 2024 (School of Engineering, Institute of Materials, Laboratory of Computational Science and Modelling)
Employment
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ORCID Integration at EPFL

EPFL - École Polytechnique Fédérale de Lausanne: Lausanne, CH

2020 to 2024 (Etudiants, Ecole doctorale, Doctoral Program in Physics)
Employment
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ORCID Integration at EPFL

Education and qualifications (1)

École Polytechnique Fédérale de Lausanne: Lausanne, CH

2020-06 to 2024-08 | PhD (Physics)
Education
Source: Self-asserted source
Jigyasa Nigam

Works (9)

Expanding density-correlation machine learning representations for anisotropic coarse-grained particles

The Journal of Chemical Physics
2024-08-21 | Journal article
Contributors: Arthur Lin; Kevin K. Huguenin-Dumittan; Yong-Cheol Cho; Jigyasa Nigam; Rose K. Cersonsky
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Crossref

Integrating symmetry and physical constraints into atomic-scale machine learning

2024-08-09 | Dissertation/Thesis
Contributors: Jigyasa Nigam
Source: Self-asserted source
Jigyasa Nigam

Electronic Excited States from Physically Constrained Machine Learning

ACS Central Science
2024-03-27 | Journal article
Contributors: Edoardo Cignoni; Divya Suman; Jigyasa Nigam; Lorenzo Cupellini; Benedetta Mennucci; Michele Ceriotti
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Crossref

Completeness of atomic structure representations

APL Machine Learning
2024-03-01 | Journal article
Contributors: Jigyasa Nigam; Sergey N. Pozdnyakov; Kevin K. Huguenin-Dumittan; Michele Ceriotti
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Crossref

Unified theory of atom-centered representations and message-passing machine-learning schemes

The Journal of Chemical Physics
2022-05-28 | Journal article
Contributors: Jigyasa Nigam; Sergey Pozdnyakov; Guillaume Fraux; Michele Ceriotti
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Crossref

Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties

The Journal of Chemical Physics
2022-01-07 | Journal article
Contributors: Jigyasa Nigam; Michael J. Willatt; Michele Ceriotti
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Crossref

Multi-scale approach for the prediction of atomic scale properties

Chemical Science
2021 | Journal article
Contributors: Andrea Grisafi; Jigyasa Nigam; Michele Ceriotti
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Crossref

Optimal radial basis for density-based atomic representations

The Journal of Chemical Physics
2021-09-14 | Journal article
Contributors: Alexander Goscinski; Félix Musil; Sergey Pozdnyakov; Jigyasa Nigam; Michele Ceriotti
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Crossref

Recursive evaluation and iterative contraction of N-body equivariant features

The Journal of Chemical Physics
2020-09-28 | Journal article
Contributors: Jigyasa Nigam; Sergey Pozdnyakov; Michele Ceriotti
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Crossref