Nikita FedikDirector's Postdoc Fellow
T-1/CNLS Computational Chemistry | Machine Learning | Data Science 
Office: TA-3, Bldg 1690, Room 136
Mail Stop: B258
Phone: (435) 512-6637
Fax: (505) 665-2659
Email: nfedik@lanl.gov
home page |  | Educational Background/Employment:- B.Sc (2017) Fundamental and Applied Chemistry, Southern Federal University
- Ph.D. (2022) Computational Chemistry, Utah State University | Advisor: Prof. Alexander I. Boldyrev
Research Interests: - Physics-aware machine learning for atomistic models
- Generation and analysis of big quantum chemical data
- Computational design of new molecules and materials
Selected Recent Publications: Full list of publication: Google Scholar
- M. Kulichenko, J. Smith, B. Nebgen, Y.W. Li, N. Fedik, A. I. Boldyrev, N. Lubbers, K. Barros, S. Tretiak. The rise of neural networks for materials and chemical dynamics, J. Phys. Chem. Lett. 12, 26 6227-6243 (2021).
- N. Fedik, D. Steglenko, A. Munoz-Castro, R. Minyaev, V. Minkin. Band Gap Engineering and 14 Electron Superatoms in 2D Superoctahedral Boranes B4X2 (B, N, P, As, Sb), J. Phys. Chem. C. 125, 31 17280-17290 (2021).
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