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Nature Computational Science
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December 22, 2025
Machine learning interatomic potentials at the centennial crossroads of quantum mechanics
Bhupalee Kalita, Hatice Gokcan, Olexandr Isayev
Accounts of Chemical Research
|
February 3, 2021
Learning to Approximate Density Functionals
Bhupalee Kalita, Li Li, Ryan J McCarty, et al.
The Journal of Physical Chemistry Letters
|
March 14, 2022
How Well Does Kohn-Sham Regularizer Work for Weakly Correlated Systems?
Bhupalee Kalita, Ryan Pederson, Jielun Chen, et al.
Angewandte Chemie (International Ed. in English)
|
December 16, 2025
AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell Chemistry
Bhupalee Kalita, Roman Zubatyuk, Dylan M Anstine, et al.
Frontiers in Pharmacology
|
September 23, 2016
Protective Effect of Bioactivity Guided Fractions of Ziziphus jujuba Mill. Root Bark against Hepatic Injury and Chronic Inflammation via Inhibiting Inflammatory Markers and Oxidative Stress
Raghuram Kandimalla, Suvakanta Dash, Sanjeeb Kalita, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
Nature Computational Science
|
December 22, 2025
Machine learning interatomic potentials at the centennial crossroads of quantum mechanics
Bhupalee Kalita, Hatice Gokcan, Olexandr Isayev
Accounts of Chemical Research
|
February 3, 2021
Learning to Approximate Density Functionals
Bhupalee Kalita, Li Li, Ryan J McCarty, et al.
The Journal of Physical Chemistry Letters
|
March 14, 2022
How Well Does Kohn-Sham Regularizer Work for Weakly Correlated Systems?
Bhupalee Kalita, Ryan Pederson, Jielun Chen, et al.
Angewandte Chemie (International Ed. in English)
|
December 16, 2025
AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell Chemistry
Bhupalee Kalita, Roman Zubatyuk, Dylan M Anstine, et al.
Frontiers in Pharmacology
|
September 23, 2016
Protective Effect of Bioactivity Guided Fractions of Ziziphus jujuba Mill. Root Bark against Hepatic Injury and Chronic Inflammation via Inhibiting Inflammatory Markers and Oxidative Stress
Raghuram Kandimalla, Suvakanta Dash, Sanjeeb Kalita, et al.
Page
of 1