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S

Simon Batzner

Harvard University

14H-index
40Paper Count
3.8KCitation Count
Published Papers 11
Publication Date
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Predicting emergence of crystals from amorphous precursors with deep learning potentials
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2024-12-18
err0
errOAAI
errAykol, Muratahan; Merchant, Amil; Batzner, Simon; Wei, Jennifer N.; Cubuk, Ekin Dogus
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Efficient Exploratory Synthesis of Quaternary Cesium Chlorides Guided by In Silico Predictions
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2024-10-16
err0
errOAAI
errMiura, Akira; Aykol, Muratahan; Kozaki, Shumma; Moriyoshi, Chikako; Kobayashi, Shintaro; Kawaguchi, Shogo; Lee, Chul-Ho; Wang, Yongming; Merchant, Amil; Batzner, Simon; Kageyama, Hiroshi; Tadanaga, Kiyoharu; Kohli, Pushmeet; Cubuk, Ekin Dogus
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Complexity of many-body interactions in transition metals via machine-learned force fields from the TM23 data set
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2024-05-07
err5
errOAAI
errOwen, Cameron J.; Torrisi, Steven B.; Xie, Yu; Batzner, Simon; Bystrom, Kyle; Coulter, Jennifer; Musaelian, Albert; Sun, Lixin; Kozinsky, Boris
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Accurate Surface and Finite-Temperature Bulk Properties of Lithium Metal at Large Scales Using Machine Learning Interaction Potentials
errACS OMEGA
IF4.3
err2024-02-21
err1
errOAAI
errPhuthi, Mgcini Keith; Yao, Archie Mingze; Batzner, Simon; Musaelian, Albert; Guan, Pinwen; Kozinsky, Boris; Cubuk, Ekin Dogus; Viswanathan, Venkatasubramanian
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Scaling deep learning for materials discovery
errNATURE
IF48.5
err2023-11-29
err210
errOAAI
errMerchant, Amil; Batzner, Simon; Schoenholz, Samuel S.; Aykol, Muratahan; Cheon, Gowoon; Cubuk, Ekin Dogus
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errSave
Fast uncertainty estimates in deep learning interatomic potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-04-27
err30
errOAAI
errZhu, Albert; Batzner, Simon; Musaelian, Albert; Kozinsky, Boris
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Biasing energy surfaces towards the unknown
errNATURE COMPUTATIONAL SCIENCE
IF18.3
err2023-03-06
err2
PREAI
errBatzner, Simon
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Learning local equivariant representations for large-scale atomistic dynamics
errNATURE COMMUNICATIONS
IF15.7
err2023-02-03
err204
errOAAI
errMusaelian, Albert; Batzner, Simon; Johansson, Anders; Sun, Lixin; Owen, Cameron J.; Kornbluth, Mordechai; Kozinsky, Boris
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errSave
E(3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials
errNATURE COMMUNICATIONS
IF15.7
err2022-05-04
err648
errOAAI
errBatzner, Simon; Musaelian, Albert; Sun, Lixin; Geiger, Mario; Mailoa, Jonathan P.; Kornbluth, Mordechai; Molinari, Nicola; Smidt, Tess E.; Kozinsky, Boris
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Multitask Machine Learning of Collective Variables for Enhanced Sampling of Rare Events
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-03-11
err33
errOAAI
errSun, Lixin; Vandermause, Jonathan; Batzner, Simon; Xie, Yu; Clark, David; Chen, Wei; Kozinsky, Boris
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errSave
On-the-fly active learning of interpretable Bayesian force fields for atomistic rare events
errNPJ COMPUTATIONAL MATERIALS
IF11.9
err2020-03-18
err286
errOAAI
errVandermause, Jonathan; Torrisi, Steven B.; Batzner, Simon; Xie, Yu; Sun, Lixin; Kolpak, Alexie M.; Kozinsky, Boris
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errSave

Research Directions

No research directions
Co-authors
Cooperation Journals
P
Pushmeet Kohli
H-index: 99 · Papers: 431
H
Hiroshi Kageyama
H-index: 65 · Papers: 768
V
Venkatasubramanian Viswanathan
H-index: 58 · Papers: 341
K
Kiyoharu Tadanaga
H-index: 56 · Papers: 400
A
Akira Miura
H-index: 54 · Papers: 688
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