Justin S Smith
10PUBLICATIONS
22CO-AUTHORS
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Publications (10)
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|Mar 07, 2024
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential.Shuhao Zhang, Małgorzata Z Makoś, Ryan B Jadrich
|Jan 04, 2024
Uncertainty-driven dynamics for active learning of interatomic potentials.Maksim Kulichenko, Kipton Barros, Nicholas Lubbers
|May 09, 2023
Lightweight and effective tensor sensitivity for atomistic neural networks.Michael Chigaev, Justin S Smith, Steven Anaya
|Apr 28, 2023
Extending machine learning beyond interatomic potentials for predicting molecular properties.Nikita Fedik, Roman Zubatyuk, Maksim Kulichenko
|Aug 27, 2021
Predicting phosphorescence energies and inferring wavefunction localization with machine learning.Andrew E Sifain, Levi Lystrom, Richard A Messerly
|Aug 12, 2021
Teaching a neural network to attach and detach electrons from molecules.Roman Zubatyuk, Justin S Smith, Benjamin T Nebgen
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Frequent Collaborators
7 joint publications
Sergei Tretiak
7 joint publications
Benjamin T Nebgen
5 joint publications
Olexandr Isayev
4 joint publications
Nicholas Lubbers
3 joint publications
Richard Messerly
3 joint publications
Kipton Barros
2 joint publications
Maksim Kulichenko
1 joint publications
A E Roitberg
1 joint publications
Leonid Burakovsky
1 joint publications
Hai Ah Nam
