interest

Density functional theory (DFT)

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
Streltsov Sergey
🥼
DSc in Physics and Mathematics, Professor, Associate member of the Russian Academy of Sciences 
IMP UB RAS
IMP UB RAS
UrFU
UrFU
164 publications,  3 536 citations
h-index: 33
Research interests
Density functional theory (DFT)
Condensed matter physics
Highly correlated electronic systems
Magnetism
Rumyantcev Roman
IOMC RAS
IOMC RAS
90 publications,  603 citations
h-index: 12
Research interests
Crystal Chemistry
Density functional theory (DFT)
Lanthanides
Structural chemistry
X-ray diffraction (XRD)
Rare Earth Metals
Oreshonkov Aleksandr
🤝
PhD in Physics and Mathematics
KIP SB RAS
KIP SB RAS
83 publications,  1 883 citations
h-index: 22
Research interests
Density functional theory (DFT)
IR spectroscopy
Raman spectroscopy
Dynamics of the crystal lattice
Vasenko Andrey
🥼 🤝
PhD in Physics and Mathematics
NRU HSE
NRU HSE
LPI RAS
LPI RAS
78 publications,  1 262 citations
h-index: 22
Research interests
Materials science
Machine Learning
Superconductivity
Perovskite
Density functional theory (DFT)
Nanomaterials
Molecular dynamics
Condensed matter physics
2D Materials
Mesoscopic physics
Functional materials
Nonequilibrium superconductivity
Hybrid superconductors
Quantum transport
Rybkin Artem
PhD in Physics and Mathematics
SPbU
SPbU
78 publications,  2 231 citations
h-index: 21
Research interests
Physical Chemistry
Materials science
Molecular beam epitaxy
Scanning tunneling microscopy
Spintronics
Density functional theory (DFT)
Nanomaterials
Condensed matter physics
Magnetism
Topological insulators
Nanocarbon
Thin films
ARPES
XPS
Atomic force microscopy
Solid State Physics
Ter-Oganessian Nikita
🥼 🤝
DSc in Physics and Mathematics
SFedU
SFedU
46 publications,  450 citations
h-index: 12
Research interests
Computer simulation
Multiferroics
Density functional theory (DFT)
Ferroelectricity
Magnetoelectrics
Condensed matter physics
Phase transitions
Crystallophysics
Pavlov Sergey
🥼 🤝
PhD in Physics and Mathematics
JIHT RAS
JIHT RAS
45 publications,  413 citations
h-index: 9
Research interests
Electrochemistry
Quantum Chemistry
Carbon materials
Density functional theory (DFT)
Molecular dynamics
"Smart" materials
Electrocatalysis
2D Materials
Nanocarbon
Graphene
Electron transfer
Sosorev Andrey
PhD in Physics and Mathematics
MSU
MSU
IBCh RAS
IBCh RAS
ISPM RAS
ISPM RAS
45 publications,  466 citations
h-index: 13
Research interests
LEDs
Density functional theory (DFT)
Raman spectroscopy
Organic Electronics
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
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
Marchenko Ekaterina
PhD in Chemistry
MSU
MSU
34 publications,  301 citations
h-index: 8
Research interests
Machine Learning
Crystal Chemistry
Crystallography
Solar energy
Perovskite
Density functional theory (DFT)
Polymorphism
Semiconductor Materials Science
The theory of crystal symmetry
Atomic modeling
Rychkov Denis
🥼
PhD in Chemistry
ISSCM SB RAS
ISSCM SB RAS
NSU
NSU
33 publications,  312 citations
h-index: 12
Research interests
Quantum Chemistry
Crystallography
High pressures
Density functional theory (DFT)
Polymorphism
Computational methods in chemistry
Management in science
Sukhanova Ekaterina
🤝
IBCP RAS
IBCP RAS
30 publications,  191 citations
h-index: 7
Research interests
Materials science
Quantum Chemistry
Nanotechnology
Computer simulation
Density functional theory (DFT)
Nanomaterials
Graphene
Boev Anton
🥼
PhD in Physics and Mathematics
Skoltech
Skoltech
30 publications,  207 citations
h-index: 9
Research interests
Materials science
Computer simulation
Density functional theory (DFT)
Lithium-ion batteries
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
Kozlenko Anastasia
SFedU
SFedU
27 publications,  184 citations
h-index: 8
Research interests
Organic Chemistry
Photochemistry
Synthetic Organic Chemistry
Density functional theory (DFT)
"Smart" materials
Molecular switches
Spiropyrans
Reaction mechanisms
Reactivity
Balyakin Ilya
🤝
PhD in Physics and Mathematics
IMET UB RAS
IMET UB RAS
UrFU
UrFU
26 publications,  153 citations
h-index: 8
Research interests
Density functional theory (DFT)
Molecular dynamics
Condensed matter physics
Phase transitions
Artificial neural networks