Bhupalee Kalita

4PUBLICATIONS
8CO-AUTHORS
Theoretical quantum chemistryRadiation and matterStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterComputational chemistry
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Publications (4)

|Dec 22, 2025
Machine learning interatomic potentials at the centennial crossroads of quantum mechanics.

Bhupalee Kalita, Hatice Gokcan, Olexandr Isayev

|Dec 16, 2025
AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell Chemistry.

Bhupalee Kalita, Roman Zubatyuk, Dylan M Anstine

|Mar 14, 2022
How Well Does Kohn-Sham Regularizer Work for Weakly Correlated Systems?

Bhupalee Kalita, Ryan Pederson, Jielun Chen

|Feb 03, 2021
Learning to Approximate Density Functionals.

Bhupalee Kalita, Li Li, Ryan J McCarty

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Frequent Collaborators

2 joint publications

Kieron Burke

2 joint publications

Olexandr Isayev

1 joint publications

Roman Zubatyuk

1 joint publications

Dylan M Anstine