interest

Computational chemistry

Novikov Alexander
🥼 🤝 🔍
PhD in Chemistry
Saint Petersburg State University
Saint Petersburg State University
ITMO University
ITMO University
Lomonosov Moscow State University
Lomonosov Moscow State University
Peoples' Friendship University of Russia
Peoples' Friendship University of Russia
382 publications,  6 751 citations
h-index: 49
Research interests
Computational chemistry
Machine learning
Non-covalent Interactions
Quantum Chemistry
Reaction mechanisms
Supramolecular chemistry
Sorokin Pavel
🥼 🤝
DSc in Physics and Mathematics, Associate Professor
National University of Science & Technology (MISiS)
National University of Science & Technology (MISiS)
195 publications,  7 357 citations
h-index: 39
Research interests
2D Materials
Ab initio
Computational chemistry
Condensed matter physics
Density functional theory (DFT)
Machine learning
Magnetic materials
Materials science
Metals and alloys
Nanomaterials
Nanomaterials for biomedicine
Non-covalent Interactions
Quantum Chemistry
Solid State Physics
Thin films
Thin solid films
Tchougreeff Andrei
🥼
DSc in Physics and Mathematics
A.N. Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences
A.N. Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences
123 publications,  6 488 citations
h-index: 17
Research interests
1D Materials
2D Materials
Chemical physics
Computational chemistry
Condensed matter physics
Coordination Chemistry
Physical Chemistry
Quantum Chemistry
Theoretical Chemistry
Komarov Pavel
DSc in Chemistry, Associate Professor
A.N.Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences
A.N.Nesmeyanov Institute of Organoelement Compounds of the Russian Academy of Sciences
Tver State University
Tver State University
Lomonosov Moscow State University
Lomonosov Moscow State University
99 publications,  1 076 citations
h-index: 17
Research interests
Computational chemistry
Computer simulation
Molecular modeling
Nanotechnology
Physical Chemistry
R&D
Soft environments
Soft matter
Ksenofontov Alexander
🥼 🤝
PhD in Chemistry
G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences
G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences
89 publications,  818 citations
h-index: 15
Research interests
Computational chemistry
Coordination Chemistry
Data Science
Fluorescence
Machine learning
Photochemistry
Physical Chemistry
Tyurin Daniil
PhD in Chemistry
Lomonosov Moscow State University
Lomonosov Moscow State University
68 publications,  635 citations
h-index: 15
Research interests
Ab initio
Astrophysics
Chemical Physics
Computational chemistry
Computational methods in chemistry
Cryogenic technology
EPR spectroscopy
High-performance computing
IR spectroscopy
Interaction of X-ray and synchrotron radiation with matter
Matrix isolation
Matrix isolation
Molecular modeling
Molecular spectroscopy
Non-covalent Interactions
Non-valent interactions
Photochemistry
Physical Chemistry
Quantum Chemistry
Reaction mechanisms
Singlet oxygen
Space research
Spectroscopy
X-ray radiation
Gurina Darya
PhD in Chemistry
G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences
G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences
60 publications,  362 citations
h-index: 11
Research interests
Chemical physics
Computational chemistry
Voronin Alexander
🤝
PhD in Chemistry
G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences
G.A. Krestov Institute of Solution Chemistry of the Russian Academy of Sciences
53 publications,  1 072 citations
h-index: 21
Research interests
Computational chemistry
Crystal Chemistry
Development of drug candidates and leaders
Non-valent interactions
Physical Chemistry
Supramolecular chemistry
Thermodynamics
Piyanzina Irina
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PhD in Physics and Mathematics
Kazan Scientific Center of the Russian Academy of Sciences
Kazan Scientific Center of the Russian Academy of Sciences
Kazan Federal University
Kazan Federal University
50 publications,  245 citations
h-index: 8
Research interests
Computational chemistry
Computer simulation
Condensed matter physics
Density functional theory (DFT)
Machine learning
Magnetic materials
Materials science
Molecular dynamics
Multiferroics
Polymer science
Thin films
Eliseev Artem
PhD in Chemistry
Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences
Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences
Lomonosov Moscow State University
Lomonosov Moscow State University
43 publications,  451 citations
h-index: 13
Research interests
Computational chemistry
Machine learning
Magnetic materials
Materials science
Membrane materials
Samuilov Aleksandr
PhD in Chemistry
Kazan National Research Technological University
Kazan National Research Technological University
39 publications,  218 citations
h-index: 9
Research interests
Ab initio
Computational chemistry
Density functional theory (DFT)
Green chemistry
Green technologies
Hydrogen-bonded organic polymers
Otlyotov Arseniy
🥼 🤝
PhD in Chemistry
N.N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences
N.N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences
34 publications,  193 citations
h-index: 8
Research interests
Ab initio
Computational chemistry
Conformational analysis
Density functional theory (DFT)
Gas electronography
Solvation
Thermodynamics
Kozhevnikova Ekaterina
Moscow Institute of Physics and Technology
Moscow Institute of Physics and Technology
Joint Institute for High Temperatures of the Russian Academy of Sciences
Joint Institute for High Temperatures of the Russian Academy of Sciences
16 publications,  270 citations
h-index: 6
Research interests
2D Materials
Carbon materials
Chemistry of natural compounds
Computational chemistry
Density functional theory (DFT)
Electrochemistry
Gas sensors
Physical and chemical materials science
Pytnon
Solid State Physics
Ganiev Baktiyor
🤝
Bukhara State University
Bukhara State University
12 publications,  26 citations
h-index: 3
Research interests
Computational chemistry
Coordination Chemistry
Crystal Chemistry
Quantum Chemistry
Quantum computing
Synthetic Organic Chemistry
Noev Alexey
🤝
MIREA — Russian Technological University
MIREA — Russian Technological University
8 publications,  56 citations
h-index: 4
Research interests
Computational chemistry
Drug design
Medicinal Chemistry
Photopharmacology
Krasnov Lev
Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences
Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences
7 publications,  49 citations
h-index: 3
Research interests
Chemoinformatics
Computational chemistry
Data Science
IT
Machine learning
Kaplanskiy Mark
Saint Petersburg State University
Saint Petersburg State University
7 publications,  8 citations
h-index: 2
Research interests
Ab initio MD
Computational chemistry
Quantum Chemistry
Supramolecular chemistry
Smirnova Anastasiia
🥼 🤝
PhD in Chemistry
Lomonosov Moscow State University
Lomonosov Moscow State University
7 publications,  60 citations
h-index: 5
Research interests
Computational chemistry
Machine learning
Quantum Chemistry
Radiochemistry