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Bhupalee Kalita

Carnegie Mellon University

8H-index
17Paper Count
527Citation Count
Published Papers 4
Publication Date
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Machine learning interatomic potentials at the centennial crossroads of quantum mechanics
errNature Computational Science
IF18.3
err2025-12-22
err0
PREAI
errBhupalee Kalita; Hatice Gokcan; Olexandr Isayev
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AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell Chemistry
errAngewandte Chemie International Edition
IF16.9
err2025-12-16
err0
errOAAI
errDr. Bhupalee Kalita; Dr. Roman Zubatyuk; Dr. Dylan M. Anstine; Dr. Maike Bergeler; Dr. Volker Settels; Dr. Conrad Stork; Dr. Sebastian Spicher; Dr. Olexandr Isayev
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De novo molecule design towards biased properties via a deep generative framework and iterative transfer learning
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err1
errOAAI
errSattari, Kianoosh; Li, Dawei; Kalita, Bhupalee; Xie, Yunchao; Lighvan, Fatemeh Barmaleki; Isayev, Olexandr; Lin, Jian
errShare
errSave
Learning to Approximate Density Functionals
errACCOUNTS OF CHEMICAL RESEARCH
IF17.7
err2021-02-03
err59
PREAI
errKalita, Bhupalee; Li, Li; McCarty, Ryan J.; Burke, Kieron
errShare
errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
K
Kieron Burke
H-index: 71 · Papers: 400
O
Olexandr Isayev
H-index: 55 · Papers: 274
J
Jian Lin
H-index: 55 · Papers: 299
Y
Yunchao Xie
H-index: 31 · Papers: 71
R
R.I. Zubatyuk
H-index: 28 · Papers: 453
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