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Nikita Fedik

Director's Postdoc Fellow

Computational Chemistry | Machine Learning | Data Science

Nikita Fedik

Office: TA-3, Bldg 1690, Room 136
Mail Stop: B258
Phone: (435) 512-6637
Fax: (505) 665-2659
home page

 Educational Background/Employment:
  • B.Sc (2017) Fundamental and Applied Chemistry, Southern Federal University
  • Ph.D. (2022) Computational Chemistry, Utah State University

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
    1. 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).
    2. 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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