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Justin S. Smith — most-cited papers & profile · AI for Science
← authors
·
overview
Justin S. Smith
8
papers ·
16
citations ·
34
h-index
University of Virginia Health System · University of Virginia Hospital · Nvidia (United States) · University of Virginia Medical Center · Neurological Surgery · University of Virginia
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Most-cited papers
ANI-1: An extensible neural network potential with DFT accuracy at force field computational cost
2016
ANI-1: A data set of 20M off-equilibrium DFT calculations for organic molecules
2017
Hierarchical modeling of molecular energies using a deep neural network
2017
Less is more: sampling chemical space with active learning
2018
Automated discovery of a robust interatomic potential for aluminum
2020
Quantum-based Molecular Dynamics Simulations Using Tensor Cores
2021
Top co-authors
Kipton Barros
· 3
Nicholas Lubbers
· 3
Olexandr Isayev
· 3
Adrian E. Roitberg
· 2
and Adrian E. Roitberg
· 1
Anders M. N. Niklasson
· 1
Benjamin Nebgen
· 1
Ben Nebgen
· 1
Christian F. A. Negre
· 1
Emanuel H. Rubensson
· 1
Hai Ah Nam
· 1
Jie Chen
· 1
Topics
Chemistry
Materials
Physics ML
Drug Discovery