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B

Bhupalee Kalita

Carnegie Mellon University

8H指数
17论文数
527被引数
收录论文 4
发表时间
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Machine learning interatomic potentials at the centennial crossroads of quantum mechanics量子力学百年十字路口的机器学习原子间势
errNature Computational Science
IF18.3
err2025-12-22
err0
PREAI
errBhupalee Kalita; Hatice Gokcan; Olexandr Isayev
err分享
err收藏
AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell ChemistryAIMNet2-NSE：一种适用于开壳化学的可转移反应性神经网络势能
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
err分享
err收藏
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
err分享
err收藏
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
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
K
Kieron Burke
H 指数: 71 · 论文数: 400
O
Olexandr Isayev
H 指数: 55 · 论文数: 277
J
Jian Lin
H 指数: 55 · 论文数: 300
Y
Yunchao Xie
H 指数: 31 · 论文数: 71
R
R.I. Zubatyuk
H 指数: 28 · 论文数: 454
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