Roman Zubatyuk
8PUBLICATIONS
83CO-AUTHORS
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Publications (8)
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|Dec 16, 2025
AIMNet2-NSE: A Transferable Reactive Neural Network Potential for Open-Shell Chemistry.Bhupalee Kalita, Roman Zubatyuk, Dylan M Anstine
|Nov 10, 2025
Efficient Molecular Crystal Structure Prediction and Stability Assessment with AIMNet2 Neural Network Potentials.Kamal Singh Nayal, Dana O'Connor, Roman Zubatyuk
|Apr 24, 2025
ANI-1xBB: An ANI-Based Reactive Potential for Small Organic Molecules.Shuhao Zhang, Roman Zubatyuk, Yinuo Yang
|Oct 17, 2024
The seventh blind test of crystal structure prediction: structure ranking methods.Lily M Hunnisett, Nicholas Francia, Jonas Nyman
|Oct 15, 2024
The seventh blind test of crystal structure prediction: structure generation methods.Lily M Hunnisett, Jonas Nyman, Nicholas Francia
|Sep 15, 2023
Synergy of semiempirical models and machine learning in computational chemistry.Nikita Fedik, Benjamin Nebgen, Nicholas Lubbers
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Frequent Collaborators
6 joint publications
Olexandr Isayev
3 joint publications
Noa Marom
2 joint publications
Nikita Fedik
2 joint publications
Maksim Kulichenko
2 joint publications
Nicholas Lubbers
2 joint publications
Nicholas Francia
2 joint publications
Benjamin Nebgen
2 joint publications
Richard Messerly
2 joint publications
Ying Wai Li
2 joint publications
Kipton Barros
