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"au:"Jigyasa Nigam"" — arXiv2 Search
Showing 1–9 of 9 results
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Jul 7, 2020
Recursive evaluation and iterative contraction of $N$-body equivariant features
Feb 28, 2023
Completeness of Atomic Structure Representations
Feb 17, 2026
Machine learning electronic structure and atomistic properties from the external potential
Aug 27, 2020
Multi-scale approach for the prediction of atomic scale properties
Apr 1, 2025
Exploring the design space of machine-learning models for quantum chemistry with a fully differentiable framework
Nov 1, 2023
Electronic excited states from physically-constrained machine learning
Mar 27, 2024
Expanding Density-Correlation Machine Learning Representations for Anisotropic Coarse-Grained Particles
Sep 24, 2021
Equivariant representations for molecular Hamiltonians and N-center atomic-scale properties
Feb 3, 2022
Unified theory of atom-centered representations and message-passing machine-learning schemes