Nikita Fedik
6PUBLICATIONS
19CO-AUTHORS
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Publications (6)
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|Jan 27, 2026
Ground and excited state gradients with end-to-end differentiable semiempirical quantum chemistry.Vishikh Athavale, Maksim Kulichenko, Nikita Fedik
|Sep 25, 2025
PYSEQM 2.0: Accelerated Semiempirical Excited-State Calculations on Graphical Processing Units.Vishikh Athavale, Nikita Fedik, William Colglazier
|Nov 21, 2024
Data Generation for Machine Learning Interatomic Potentials and Beyond.Maksim Kulichenko, Benjamin Nebgen, Nicholas Lubbers
|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
|Jul 18, 2019
Realization of Lewis Basic Sodium Anion in the NaBH3 - Cluster.Gaoxiang Liu, Nikita Fedik, Chalynette Martinez-Martinez
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Frequent Collaborators
5 joint publications
Sergei Tretiak
4 joint publications
Maksim Kulichenko
3 joint publications
Benjamin Nebgen
3 joint publications
Richard Messerly
2 joint publications
Olexandr Isayev
2 joint publications
Alexander I Boldyrev
2 joint publications
Kipton Barros
2 joint publications
Roman Zubatyuk
2 joint publications
Nicholas Lubbers
2 joint publications
Ying Wai Li
