skill

Ab initio calculations

Nelyubina Yulia
🤝
DSc in Chemistry
INEOS RAS
INEOS RAS
MIPT
MIPT
BMSTU
BMSTU
477 publications,  6 045 citations
h-index: 34
Skills
Single crystal X-Ray Diffraction
Powder X-ray diffraction (PXRD)
DFT calculations
Ab initio calculations
Precision X-ray diffraction studies
In situ crystallography
Various crystallization methods
Sorokin Pavel
🥼 🤝
DSc in Physics and Mathematics, Associate Professor
MISiS
MISiS
184 publications,  6 750 citations
h-index: 36
Skills
Maintenance of technical documentation
Quantum molecular dynamics
Quantum Chemistry
Molecular dynamics and quantum chemical calculations
Theory of Quantum Mechanics/Molecular Mechanics (KM/MM)
Hartree - Foca (HF)
Maltlab
DFT calculations
CorelDraw
Research Management
VASP
Ab initio calculations
LAMMPS
Web of Science
Condensed matter theory
English
Editing scientific articles
Molecular dynamics
Quantum Espresso
SIESTA
Kvashnin Dmitry
🥼
DSc in Physics and Mathematics, Associate Professor
MIPT
MIPT
IBCP RAS
IBCP RAS
Pirogov RNRMU
Pirogov RNRMU
96 publications,  3 886 citations
h-index: 21
Skills
Quantum Chemistry
Hartree - Foca (HF)
Bash
Matlab
DFT calculations
Linux
VASP
Ab initio calculations
LAMMPS
Quantum Espresso
SIESTA
Reading a course of lectures
RESEARCH
Organization of conferences
Vasenko Andrey
🥼 🤝
PhD in Physics and Mathematics
NRU HSE
NRU HSE
LPI RAS
LPI RAS
78 publications,  1 262 citations
h-index: 22
Skills
Quantum molecular dynamics
DFT calculations
VASP
Ab initio calculations
Quantum Espresso
Superconductivity theory
Quasiclassics
Keldysh Green's functions
NAMD
Ginzburg-Landau theory
Shorikov Alexey
PhD in Physics and Mathematics
IMP UB RAS
IMP UB RAS
UrFU
UrFU
70 publications,  1 080 citations
h-index: 18
Skills
Molecular dynamics and quantum chemical calculations
C
Python
Fortran
DFT calculations
Ab initio calculations
DMFT calculations
Mikhailova Tatiana
PhD in Chemistry
IGIC RAS
IGIC RAS
43 publications,  162 citations
h-index: 7
Skills
Quantum Chemistry
Ab initio calculations
Piyanzina Irina
🥼 🤝
PhD in Physics and Mathematics
KazSC RAS
KazSC RAS
KFU
KFU
40 publications,  159 citations
h-index: 6
Skills
Python
DFT calculations
VASP
Ab initio calculations
LAMMPS
Minakov Dmitry
PhD in Physics and Mathematics
MIPT
MIPT
JIHT RAS
JIHT RAS
37 publications,  350 citations
h-index: 11
Skills
C
C++
JavaScript
OriginLab
Python
Django
VASP
Ab initio calculations
Shevlyagin Alexander
🥼 🤝
PhD in Physics and Mathematics
IACP FEB RAS
IACP FEB RAS
SPbU
SPbU
37 publications,  215 citations
h-index: 9
Skills
Atomic force microscopy (AFM)
Raman spectroscopy
Single crystal X-Ray Diffraction
UV-vis absorption spectroscopy
OriginLab
ImageJ
Scanning Probe Microscopy
Ab initio calculations
FTIR
Luminescence spectroscopy
Laser ablation
Transmission Electron Microscopy (TEM)
MBE
Ultra-high vacuum technologies
Marchenko Ekaterina
PhD in Chemistry
MSU
MSU
34 publications,  301 citations
h-index: 8
Skills
Python
Ab initio calculations
3D printing
Vasilenko Dmitry
🥼 🤝
PhD in Chemistry
MSU
MSU
33 publications,  227 citations
h-index: 9
Skills
Organic Synthesis
NMR spectroscopy
Ab initio calculations
Kondratenko Vladimir
🥼
PhD in Engineering, Associate Professor
FRC FS RAS
FRC FS RAS
24 publications,  11 citations
h-index: 1
Skills
IR spectroscopy
Raman spectroscopy
OriginLab
Mathematica
Research Management
Ab initio calculations
FTIR
Editing scientific articles
Scientific writing
Wolfram Mathematica
PCA
Colloidal chemistry
Chemical and kinetic calculations
Kinetic analysis
Modeling of molecules
Viscosimetry
Rheology
ChemDraw
HyperChem
Conductometry
Data processing
Semi-empirical quantum chemistry
Rotational rheometry
Mathematical statistics
Expertise
Excel
Word
Table Curve
Avogadro
Mendeley
Frolov Alexander
PhD in Physics and Mathematics
MSU
MSU
MIPT
MIPT
FRCCP RAS
FRCCP RAS
19 publications,  152 citations
h-index: 8
Skills
Powder X-ray diffraction (PXRD)
X-ray photoelectron spectroscopy (XPS)
Smart Materials
C++
NumPy
Python
Fortran
Inorganic synthesis
DFT calculations
LabVIEW
Scanning Probe Microscopy
Ultra High Vacuum technic
Ab initio calculations
Inorganic chemistry
Condensed matter theory
Gnuplot
ARPES
MBE
Bridgeman Crystal Growth
Melnikov Igor
FRCCP RAS
FRCCP RAS
18 publications,  257 citations
h-index: 9
Skills
Differential Scanning Calorimetry (DSC)
Ab initio calculations
Thermal analysis
ChemDraw
Thermochemistry
Ganiev Baktiyor
🤝
BukhSU
BukhSU
12 publications,  1 citation
h-index: 1
Skills
Raman spectroscopy
UV-vis absorption spectroscopy
NMR spectroscopy
Oracle Database
Fortran
DFT calculations
PubChem
Ab initio calculations
FTIR
Scopus
Match!
PyMOL
ChemDraw
ORCA
Gaussian
Ab inition simulations
Govorov Dmitrii
🔍
11 publications,  14 citations
h-index: 2
Skills
IR spectroscopy
Quantum molecular dynamics
Quantum Chemistry
Single crystal X-Ray Diffraction
C++
Python
Ab initio calculations
Absalyamov Damir
🥼 🤝
ISU
ISU
7 publications,  44 citations
h-index: 3
Skills
DFT calculations
Ab initio calculations
Gaussian 16
Excel
Moshchenkov Andrey
FRCCP RAS
FRCCP RAS
3 publications,  12 citations
h-index: 2
Skills
Python
DFT calculations
Ab initio calculations
Modeling of molecules
ChemDraw
ORCA