interest

Ab initio

Sorokin Pavel
🥼 🤝
DSc in Physics and Mathematics, Associate Professor
MISiS
MISiS
184 publications,  6 749 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
Makarenko Sergey
🥼 🤝
DSc in Chemistry, Associate Professor
Herzen University
Herzen University
74 publications,  288 citations
h-index: 8
Research interests
Organic Chemistry
NMR spectroscopy
Synthetic Organic Chemistry
IR spectroscopy
Heterocyclic compounds
Drug design
Ab initio
Amino acids
Nitro compounds
Stressful cycles
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
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
Tarasov Artem
🥼
PhD in Physics and Mathematics
MIPT
MIPT
SPbU
SPbU
33 publications,  129 citations
h-index: 7
Research interests
Topological insulator
Topological insulators
ARPES
Graphene
Ab initio
PED
Photoelectron diffraction
Photoelectron spectroscopy
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
Kondratenko Vladimir
🥼
PhD in Engineering, Associate Professor
FRC FS RAS
FRC FS RAS
24 publications,  11 citations
h-index: 1
Research interests
Biochemistry
Biotechnology
Rheology
Food technology
Ab initio
Food
R&D
Food industry
Statistical modeling
Food science
Food chemistry
Food hydrocolloids
Ultrasound cavitation
Enzyme kinetics
Microbial death kinetics
Food biochemistry
Bio-and foodtech
Kartsev Alexey
🥼 🤝
PhD in Physics and Mathematics
BMSTU
BMSTU
CC FEB RAS
CC FEB RAS
RTU MIREA
RTU MIREA
23 publications,  359 citations
h-index: 7
Research interests
Materials science
Computational Physics
Quantum Physics
Mathematical physics
Crystallography
Magnetic materials
Density functional theory (DFT)
2D Materials
Ab initio
Magnetic heterostructures
Monte Carlo Methods
Magnetic and structural correlations
Monte Carlo simulation
Ab initio MD
Electronic properties
Demyanov Georgy
🥼 🤝
MIPT
MIPT
JIHT RAS
JIHT RAS
10 publications,  19 citations
h-index: 3
Research interests
Physics
Quantum mechanics
Ab initio