interest

Computational chemistry

Novikov Alexander
🥼 🤝 🔍
PhD in Chemistry
MSU
MSU
ITMO University
ITMO University
SPbU
SPbU
347 publications,  5 620 citations
h-index: 44
Research interests
Quantum Chemistry
Computational chemistry
Machine Learning
Supramolecular chemistry
Non-covalent Interactions
Reaction mechanisms
Sorokin Pavel
🥼 🤝
DSc in Physics and Mathematics, Associate Professor
MISiS
MISiS
184 publications,  6 750 citations
h-index: 36
Research interests
Materials science
Quantum Chemistry
Computational chemistry
Machine Learning
Magnetic materials
Non-covalent Interactions
Density functional theory (DFT)
Nanomaterials
Condensed matter physics
2D Materials
Thin films
Solid State Physics
Nanomaterials for biomedicine
Thin solid films
Ab initio
Metals and alloys
Tchougreeff Andrei
🥼
DSc in Physics and Mathematics
IPCE RAS
IPCE RAS
111 publications,  5 635 citations
h-index: 17
Research interests
Physical Chemistry
Quantum Chemistry
Coordination Chemistry
Computational chemistry
Condensed matter physics
2D Materials
Chemical physics
Theoretical Chemistry
1D Materials
Komarov Pavel
DSc in Physics and Mathematics, Associate Professor
INEOS RAS
INEOS RAS
TSU
TSU
102 publications,  1 034 citations
h-index: 16
Research interests
Physical Chemistry
Computational chemistry
Nanotechnology
Molecular modeling
Computer simulation
Soft environments
Soft matter
R&D
Ksenofontov Alexander
🥼 🤝
PhD in Chemistry
ISC RAS
ISC RAS
81 publications,  702 citations
h-index: 15
Research interests
Physical Chemistry
Coordination Chemistry
Computational chemistry
Machine Learning
Data Science
Photochemistry
Fluorescence
Tyurin Daniil
PhD in Chemistry
MSU
MSU
64 publications,  600 citations
h-index: 13
Research interests
Physical Chemistry
Quantum Chemistry
Computational chemistry
Spectroscopy
Molecular modeling
Space research
Photochemistry
Chemical Physics
Non-covalent Interactions
Non-valent interactions
EPR spectroscopy
Astrophysics
IR spectroscopy
Cryogenic technology
High-performance computing
X-ray radiation
Reaction mechanisms
Ab initio
Singlet oxygen
Molecular spectroscopy
Computational methods in chemistry
Matrix isolation
Matrix isolation
Interaction of X-ray and synchrotron radiation with matter
Gurina Darya
PhD in Chemistry
ISC RAS
ISC RAS
56 publications,  300 citations
h-index: 10
Research interests
Computational chemistry
Chemical physics
Voronin Alexander
🤝
PhD in Chemistry
ISC RAS
ISC RAS
49 publications,  939 citations
h-index: 19
Research interests
Physical Chemistry
Computational chemistry
Thermodynamics
Crystal Chemistry
Supramolecular chemistry
Development of drug candidates and leaders
Non-valent interactions
Piyanzina Irina
🥼 🤝
PhD in Physics and Mathematics
KazSC RAS
KazSC RAS
KFU
KFU
40 publications,  159 citations
h-index: 6
Research interests
Materials science
Computational chemistry
Machine Learning
Computer simulation
Magnetic materials
Multiferroics
Density functional theory (DFT)
Molecular dynamics
Condensed matter physics
Thin films
Polymer science
Eliseev Artem
PhD in Chemistry
MSU
MSU
IGIC RAS
IGIC RAS
38 publications,  360 citations
h-index: 12
Research interests
Materials science
Computational chemistry
Machine Learning
Membrane materials
Magnetic materials
Samuilov Aleksandr
PhD in Chemistry
KNRTU
KNRTU
37 publications,  204 citations
h-index: 8
Research interests
Computational chemistry
Green technologies
Density functional theory (DFT)
Green chemistry
Hydrogen-bonded organic polymers
Ab initio
Otlyotov Arseniy
🥼 🤝
PhD in Chemistry
FRCCP RAS
FRCCP RAS
27 publications,  143 citations
h-index: 7
Research interests
Computational chemistry
Thermodynamics
Density functional theory (DFT)
Ab initio
Gas electronography
Conformational analysis
Kozhevnikova Ekaterina
MIPT
MIPT
JIHT RAS
JIHT RAS
15 publications,  239 citations
h-index: 5
Research interests
Electrochemistry
Computational chemistry
Carbon materials
Density functional theory (DFT)
2D Materials
Chemistry of natural compounds
Solid State Physics
Physical and chemical materials science
Pytnon
Gas sensors
Ganiev Baktiyor
🤝
BukhSU
BukhSU
12 publications,  1 citation
h-index: 1
Research interests
Quantum Chemistry
Coordination Chemistry
Computational chemistry
Crystal Chemistry
Synthetic Organic Chemistry
Quantum computing
Smirnova Anastasiia
🥼 🤝
PhD in Chemistry
MSU
MSU
7 publications,  52 citations
h-index: 5
Research interests
Radiochemistry
Quantum Chemistry
Computational chemistry
Machine Learning
Noev Alexey
🤝
RTU MIREA
RTU MIREA
7 publications,  43 citations
h-index: 3
Research interests
Computational chemistry
Medicinal Chemistry
Drug design
Photopharmacology
Sobalev Sergey
🤝
PhD in Chemistry
MSU
MSU
SUSU
SUSU
6 publications,  36 citations
h-index: 3
Research interests
Quantum Chemistry
Computational chemistry
Computer simulation
Electronic properties
Non-covalent connections
Kaplanskiy Mark
SPbU
SPbU
5 publications,  5 citations
h-index: 1
Research interests
Quantum Chemistry
Computational chemistry
Ab initio MD