Kazan Federal University
Kazan Federal University

Information technologies in physical materials science

Materials Science Condensed Matter Physics Machine learning
Head of Laboratory

Mokshin, Anatolii V

DSc in Physics and Mathematics, Professor
Publications
120
Citations
1 180
h-index
20
CoLab ID
R-36018-130E5-UG15P
ORCID
0000-0003-2919-864X
ResearcherID
GWC-1191-2022
Scopus ID
55915057300
Google Scholar ID
FZxSdwoAAAAJ
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Lab website
Lab team
  1. Molecular dynamics and quantum chemical calculations
  2. Quantum molecular dynamics
  3. Theory of Quantum Mechanics/Molecular Mechanics (KM/MM)
  4. Computer modeling of physical properties of materials at the atomic and molecular level using molecular dynamics and Monte Carlo methods
  5. Statistical physics
  6. Thermodynamics
  7. Machine learning
  8. Neural networks
  9. Evolutionary algorithms
  10. The evolutionary search for materials
  11. Metadynamics
  12. X-ray diffraction analysis
  13. Cluster analysis
Anatolii Mokshin 🥼 🤝
Head of Laboratory
Sergey Demin 🤝
Senior Researcher
Ilnaz Fairushin 🤝
Senior Researcher
Bulat Galimzyanov
Senior Researcher
Anikeev, Sergey Gennadyevich
Sergey Anikeev
Senior Researcher
Maria Doronina
Engineer
Roman Vlasov
Engineer
Raniya Khairullina
Engineer
Georgy Nikiforov
PhD student
Roman Khabibullin
PhD student
Artem Tsygankov
PhD student

Research directions

Development of a methodology for computer-aided design of materials

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Development of a methodology for computer-aided design of materials
- reconstruction of effective potentials of interparticle interaction; - development of a methodology for searching for optimal protocols for the preparation of materials with specified (required) physical and mechanical properties based on numerical experiments (molecular dynamics, Monte Carlo, stochastic dynamics, coarse grained MD).

Publications and patents

Found 0
By date By citations

Partners

Bauman Moscow State Technical University
Institute for High Pressure Physics, Russian Academy of Sciences
Udmurt federal research center UB RAS
Dagestan Scientific Center
Tomsk State University

Lab address

420008 г. Казань, ул. Кремлевская 16а, Институт физики КФУ
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