Jigyasa Nigam
- Scalable emulation of protein equilibrium ensembles with generative deep learning
2024/12/05 by Sarah Lewis, Tim Hempel, José Jiménez-Luna +23 · 2 voices · 50 citations
Biochemistry, Genetics and Molecular Biology · Decision Sciences · #Protein Structure and Dynamics #Scientific Computing and Data Management
- Electronic excited states from physically-constrained machine learning
2023/11/01 by Edoardo Cignoni, Cignoni, Edoardo, Divya Suman +9 · 1 voice · 4 citations
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Machine Learning in Materials Science #Spectroscopy and Quantum Chemical Studies #cs.LG #physics.chem-ph
- Exploring the design space of machine-learning models for quantum chemistry with a fully differentiable framework
2025/04/01 by Divya Suman, Jigyasa Nigam, Suman, Divya +13 · 1 voice · 7 citations
#physics.chem-ph
- Reconstructing local environments from concise atomistic representations
2026/07/22 by Jigyasa Nigam, Tuong Phung, Ameya Daigavane +2 · 1 citation
#physics.comp-ph #physics.chem-ph
- Learning Lattice Parameters from Powder X-Ray Diffraction Data Using Invariants
2026/07/23 by Elyssa Hofgard, Kyucheol Min, Nofit Segal +7
#physics.comp-ph #cond-mat.mtrl-sci