Richard Messerly
9PUBLICATIONS
22CO-AUTHORS
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Publications (9)
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|Apr 29, 2025
Including Physics-Informed Atomization Constraints in Neural Networks for Reactive Chemistry.Shuhao Zhang, Michael Chigaev, Olexandr Isayev
|Jan 28, 2025
Improving Bond Dissociations of Reactive Machine Learning Potentials through Physics-Constrained Data Augmentation.Luan G F Dos Santos, Benjamin T Nebgen, Alice E A Allen
|Nov 21, 2024
Data Generation for Machine Learning Interatomic Potentials and Beyond.Maksim Kulichenko, Benjamin Nebgen, Nicholas Lubbers
|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
|Sep 15, 2023
Synergy of semiempirical models and machine learning in computational chemistry.Nikita Fedik, Benjamin Nebgen, Nicholas Lubbers
|Apr 28, 2023
Extending machine learning beyond interatomic potentials for predicting molecular properties.Nikita Fedik, Roman Zubatyuk, Maksim Kulichenko
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Frequent Collaborators
5 joint publications
Benjamin T Nebgen
5 joint publications
Sergei Tretiak
5 joint publications
Nicholas Lubbers
4 joint publications
Olexandr Isayev
3 joint publications
Justin S Smith
3 joint publications
Kipton Barros
3 joint publications
Nikita Fedik
3 joint publications
Maksim Kulichenko
2 joint publications
Ying Wai Li
2 joint publications
Roman Zubatyuk
