category

Molecular modeling

Laboratory of Biophysical Chemistry
Kazan Federal University
Kazan Federal University
Studies of protein-protein, protein-ligand interactions, processes of denaturation and aggregation of proteins using theoretical and experimental methods to study the structure and solvation properties of ionic liquids, thermodynamics of hydrophobic and solvophobic effects
Biophysics
Molecular modeling
Physical Chemistry
Laboratory of Digital Materials Science
National University of Science & Technology (MISiS)
National University of Science & Technology (MISiS)
The Laboratory of Digital Materials Science is engaged in the development and application of quantum chemical methods for modeling various systems at the molecular level. Our research is aimed at solving a wide range of problems related to the study of the mechanisms of chemical reactions, properties of crystals, nanomaterials and biomolecules. The scientific group, consisting of highly qualified scientists, researchers and students, works using advanced methods of quantum chemical modeling and a variety of software such as VASP, Siesta, LAMMPS, Gaussian, etc. The laboratory's research activities include conducting experiments and analyzing results using computational chemistry and quantum mechanics methods. We are engaged in modeling chemical reactions, quantifying stability, predicting the properties of materials, analyzing electronic structures, determining the parameters of crystalline and molecular structures, studying the binding of drugs to carriers, and the like.
Condensed Matter Physics
Molecular modeling
Nanotechnology
Laboratory of Multiscale Modeling in Soft Matter Physics
Moscow Institute of Physics and Technology
Moscow Institute of Physics and Technology
We are engaged in fundamental research of the properties of liquids and soft matter using supercomputer modeling methods, as well as the implementation of the results obtained in industry.
Condensed Matter Physics
Molecular modeling
Physical Chemistry
Theoretical Chemistry Group of the IOH RAS
N.D. Zelinsky Institute of Organic Chemistry of the Russian Academy of Sciences
N.D. Zelinsky Institute of Organic Chemistry of the Russian Academy of Sciences
We solve the most ambitious scientific and technological tasks with the help of information technology. First of all, in the field of chemistry, but we do not limit ourselves to it. We implement 4 main areas of work: Modeling of chemical processes: chemical reactions, materials, biological processes. Development of methods of theoretical chemistry: new methods, testing of existing ones and refinement of program codes for new tasks. AI development for chemical applications: both modeling methods and methods that simplify the life of a synthetic chemist. The study of neuromorphic networks: modeling of processes in the brain and the use of neuromorphic networks in problems of theoretical chemistry
Machine learning
Molecular modeling
Quantum Chemistry
Storion lab
Skolkovo Institute of Science and Technology
Skolkovo Institute of Science and Technology
Overarched by the development of new energy storage technology our lab consists of three research groups, which are complementary to each other.
Electrochemistry
Materials Science
Molecular modeling
Laboratory of Microstructured Polymer Materials
Lomonosov Moscow State University
Lomonosov Moscow State University
Investigation of self-organization and structuring processes in polymer systems (molecular modeling + experiment)
Condensed Matter Physics
Molecular modeling
Polymer Chemistry
Computer-aided design of new materials and machine learning
Kazan Federal University
Kazan Federal University
The laboratory's activities are aimed at finding new algorithms for the construction of complex multicomponent materials (heterostructures and composite polymers) with completely new useful properties not inherent in any of its components, promising for use as components of functional microelectronics and spintronics devices using modern machine learning/artificial intelligence methods, quantum mechanical calculations, and molecular dynamics.
Machine learning
Materials Science
Molecular modeling
Laboratory of Parallel Computing and Information Technology
V. N. Orekhovich Research Institute of Biomedical Chemistry
V. N. Orekhovich Research Institute of Biomedical Chemistry
Laboratory of Parallel Computing and Information Technology
Biochemistry
Bioinformatics
Molecular modeling
Applications are open

The Seventh International Scientific Conference “Advances in Synthesis and Complexing”

 Russia, Moscow, RUDN University
Catalysis
Inorganic chemistry
Materials Science
Organic Chemistry
Physical Chemistry
Quantum Chemistry
Dates
26-30 May 2025
Application dates
To 1 March 2025

All-Russian school-seminar on computer modeling AtoM

 Russia, Chelyabinsk, ParkCity
Computational Chemistry
Machine learning
Molecular modeling
Dates
27-31 August 2024
Application dates
To 1 May 2024

The sixteenth International St. Petersburg Conference of Young Scientists "Modern problems of Polymer Science"

 Russia, St Petersburg, Институт высокомолекулярных соединений Российской академии наук
Chemistry of high molecular weight compounds
Composites
Materials Science
Molecular modeling
Dates
24-27 October 2022
Application dates
16 May 2022 — 30 June 2022

X International Voevodsky Conference "Physics and Chemistry of Elementary Chemical Processes" (VVV-2022)

 Russia, Novosibirsk, Voevodsky Institute of Chemical Kinetics and Combustion SB RAS
Kinetics
Molecular modeling
NMR spectroscopy
Photovoltaics
Quantum Chemistry
Spectroscopy
Dates
5-9 September 2022
Application dates
15 February 2022 — 15 May 2022
Открытый конкурс МФТИ по отбору постдоков продлен до 15 июня
Dolgoprudnyy
Proposition
Free
"Smart" materials
Aging
Algebra
Alternative energy
Analytical chemistry
Artificial intelligence
Astrophysics
Atomic force microscopy
Atomic physics
Biochemistry
Bioengineering
Bioinformatics
Biomaterials
Biomedicine
Bioorganic chemistry
Biophysics
Biosensorics
Biotechnology
Cell Biology
Chemical Physics
Cognitive Sciences
Combinatorics
Composites
Computational Physics
Computer science
Computer vision
Condensed Matter Physics
Cryoelectronic microscopy
Crystallography
Data analysis
Drug Design
Electronics
Elementary Particle Physics
Engineering
General theory of relativity
Genetics
Group theory
High Energy Physics
IR spectroscopy
Instrumentation
Laser physics
Machine learning
Mass spectrometry
Materials Science
Mathematical modeling
Mathematical physics
Mathematics
Medical Physics
Microelectronics
Microscopy
Molecular Biology
Molecular Physics
Molecular beam epitaxy
Molecular modeling
Nanoelectronics
Nanomedicine
Nanophotonics
Nanotechnology
Navigation technologies
Neural networks
Neuroscience
Neutron research
Optics
Optoelectronics
Optogenetics
Organic Electronics
Organic materials
Photonics
Physical Chemistry
Physics of vibrations and waves
Plasma Physics
Probability theory
Quantum Chemistry
Quantum Cryptography
Quantum Physics
Radio engineering
Radiophysics
Robotics
Sensors
Solid State Physics
Spectroscopy
Spintronics
Statistical physics
Statistics
Structural Biology
Superconductivity
Supramolecular chemistry
Synchrotron research
Targeted therapy
Tissue Engineering
13 April 2023