Jigyasa Nigam

8PUBLICATIONS
37CO-AUTHORS
Theoretical quantum chemistryDeep learningMathematical aspects of classical mechanics, quantum mechanics and quantum information theoryModelling and simulationIntegrable systems (classical and quantum)
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Publications (8)

|Jul 17, 2026
Machine learning of electronic structure and atomistic properties from the external potential.

|Jul 10, 2025
Scalable emulation of protein equilibrium ensembles with generative deep learning.

Sarah Lewis, Tim Hempel, José Jiménez-Luna

|Jun 25, 2025
Exploring the Design Space of Machine Learning Models for Quantum Chemistry with a Fully Differentiable Framework.

Divya Suman, Jigyasa Nigam, Sandra Saade

|Aug 20, 2024
Expanding density-correlation machine learning representations for anisotropic coarse-grained particles.

Arthur Lin, Kevin K Huguenin-Dumittan, Yong-Cheol Cho

|Apr 01, 2024
Electronic Excited States from Physically Constrained Machine Learning.

Edoardo Cignoni, Divya Suman, Jigyasa Nigam

|Jun 01, 2022
Unified theory of atom-centered representations and message-passing machine-learning schemes.

Jigyasa Nigam, Sergey Pozdnyakov, Guillaume Fraux

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Frequent Collaborators

4 joint publications

Michele Ceriotti

2 joint publications

Divya Suman

1 joint publications

Andrea Grisafi

1 joint publications

Sergey Pozdnyakov