category

Computational Chemistry

Laboratory of Smart Chemical Design
Lomonosov Moscow State University
Lomonosov Moscow State University
Design of new compounds using computational chemistry methods
Artificial intelligence
Computational Chemistry
Quantum Chemistry
Laboratory of Quantum Chemical Modeling of Molecular Systems
Irkutsk State University
Irkutsk State University
The laboratory is engaged in theoretical modeling of elementary acts of chemical transformations in the gas phase and solutions; studying the mechanisms of reactions of acetylene and its derivatives catalyzed by superconnovation; studying the structure of the catalytic center and factors determining the region- and stereoselectivity of these specific processes. Another area of the laboratory's work is the development of methods for calculating the electronic structure of atoms and molecules based on the theory of Green's functions, their software implementation and application to solve problems of quantum chemistry and molecular spectroscopy.
Computational Chemistry
Physical Chemistry
Quantum Chemistry
Laboratory of azapolyene and ylide intermediates
Saint Petersburg State University
Saint Petersburg State University
The main research areas of the scientific group are devoted to the search for new methods for the synthesis of organic compounds with an unusual structure, with valuable photophysical and pharmacological properties and focus on such classes of organic compounds as azapolyenes, small N-heterocycles, azoles, diazo compounds, metallocarbenes, metallonitrenes and N-ylides.
Computational Chemistry
Organic Chemistry
Laboratory of Quantum Photodynamics
Lomonosov Moscow State University
Lomonosov Moscow State University
The main direction of scientific research is the development of modern methods for modeling electronically excited molecular systems, the establishment of mechanisms of action of photoactive biosystems, the directed regulation of their photochemical transformations and the optimization of conditions for their selective отклика.qpd.chem.msu.ru
Computational Chemistry
Quantum Chemistry
Laboratory of Quantum Chemistry and Molecular Modeling
Lomonosov Moscow State University
Lomonosov Moscow State University
Theoretical studies of the structure and dynamics of molecules (from low-atomic to biomolecules) and their complexes using methods of quantum chemistry and computer modeling
Computational Chemistry
Physical Chemistry
Quantum Chemistry
Department of Chemical Technologies and Computational Chemistry
Chelyabinsk State University
Chelyabinsk State University
Studies oxide materials (ceramics), high molecular weight compounds, reactions using quantum computing applications, as well as organic synthesis.
Chemistry of high molecular weight compounds
Computational Chemistry
Organoelement chemistry
The group of quantum chemical calculations
N.N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences
N.N. Semenov Federal Research Center for Chemical Physics of the Russian Academy of Sciences
Development of modern quantum chemical methods for predicting the properties of substances (thermochemistry, spectra) and the energy of chemical reactions in the gas phase and solution from the first principles.
Computational Chemistry
Physical Chemistry
Quantum Chemistry
Tchougreeff theory group, Dubinin Laboratory of Sorption processes
A.N. Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences
A.N. Frumkin Institute of Physical Chemistry and Electrochemistry of the Russian Academy of Sciences
Electronic Structue of Low-dimensional Materials. A theory for electronic structure and magnetic interactions in low-temperature and room-temperature Miller-Epstein magnets.
Computational Chemistry
Quantum Chemistry
REC of Infochemistry
ITMO University
ITMO University
In our center, we work in several areas: from creating an artificial cell to programming systems for bacterial biofilms, smart dynamic materials and light-controlled diagnostic systems, studying and modeling nonlinear chemical processes. 
Chemoinformatics
Computational Chemistry
Laboratory of Gas Electron Diffraction
Ivanovo State University of Chemistry and Technology
Ivanovo State University of Chemistry and Technology
The team is engaged in research in the field of molecular structure, thermodynamics of high-temperature chemical reactions, vibrational and electronic spectroscopy. Staff use both experimental (gas electron diffraction, mass spectrometry, IR and electron spectroscopy) and theoretical (quantum chemical calculations) methods.
Computational Chemistry
Physical Chemistry
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

Aromaticity 2025

 Mexico, Merida, Merida, Mexico
Computational Chemistry
Organic Chemistry
Physical Chemistry
Quantum Chemistry
Dates
27-30 January 2025
Application dates
To 15 October 2024

XI All-Russian Youth School-Conference "Quantum Chemical calculations: structure and reactivity of organic and inorganic molecules"

 Russia, Ivanovo, ИГХТУ
Computational Chemistry
Quantum Chemistry
Dates
11-15 November 2024
Application dates
To 15 September 2024

6th International Symposium on Quantum Physics and Quantum Information Science (QPQIS-2024)

 China, Beijing, Tang Dynasty Hall
Computational Chemistry
Computational Physics
Materials Science
Quantum Chemistry
Quantum Physics
Superconductivity
Dates
22-24 October 2024
Application dates
22 April 2024 — 16 August 2024

11th Triennial Congress of the International Society for Theoretical Chemical Physics (ISTCP 2024)

 China, Qingdao, Qingdao Huanghai Hotel
Chemical Physics
Computational Biology
Computational Chemistry
Computational Physics
Physical Chemistry
Dates
13-18 October 2024
Application dates
To 31 August 2024

School-conference of young scientists with international participation "Ion conductors: from modeling to experiment"

 Russia, Samara, Точка Кипения СамГТУ
Computational Chemistry
Electrochemistry
Energy industry
Materials Science
Dates
1-4 October 2024
Application dates
25 March 2024 — 1 July 2024

XIII International Conference on Chemistry for Young Scientists “Mendeleev 2024”

 Russia, St Petersburg, СПБГУ, Петергоф
Analytical chemistry
Chemical technology
Chemistry of coordination compounds
Chemistry of high molecular weight compounds
Computational Chemistry
Inorganic chemistry
Materials Science
Medical Chemistry
Organic Chemistry
Organoelement chemistry
Quantum Chemistry
Supramolecular chemistry
Dates
2-6 September 2024
Application dates
To 20 May 2024

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

20th International Conference on Density Functional Theory and its Applications (DFT 2024)

 France, Paris, École nationale supérieure de Chimie de Paris
Computational Chemistry
Dates
25-30 August 2024
Application dates
1 September 2023 — 13 March 2024

18th International Congress on Catalysis

 France, Lyon, Lyon Convention Centre
Catalysis
Computational Chemistry
Organic Chemistry
Organoelement chemistry
Organometallic chemistry
Dates
14-19 July 2024
Application dates
To 31 October 2023

The 9th EuChemS Chemistry Congress (ECC-9)

 Ireland, Dublin, Convention Centre Dublin
Analytical chemistry
Bioorganic chemistry
Catalysis
Computational Chemistry
Energy industry
History of Chemistry
Materials Science
Medical Chemistry
Nanotechnology
Organic Chemistry
Physical Chemistry
Supramolecular chemistry
Dates
7-11 July 2024
Application dates
To 8 December 2023

International School-Conference "Modern problems of Chemical Physics and Theoretical Chemistry" (PhysChem Challenges 2024)

 Russia, Moscow, Оздоровительный комплекс «Клязьма»
Chemical Physics
Computational Chemistry
Machine learning
Dates
1-5 July 2024
Application dates
1 March 2024 — 30 April 2024

XXIV International Conference on Chemical Thermodynamics in Russia

 Russia, Ivanovo, ИГХТУ
Computational Chemistry
Materials Science
Physical Chemistry
Thermodynamics
Dates
1-5 July 2024
Application dates
To 15 February 2024

XII International Conference "Mechanisms of Catalytic Reactions" — MCR-XII

 Russia, Vladimir, AMAKS Golden Ring hotel
Catalysis
Computational Chemistry
Organic Chemistry
Physical Chemistry
Dates
17-21 June 2024
Application dates
To 15 February 2024

XXVII All-Russian Conference of Young Chemical Scientists (with international participation)

 Russia, Nizhny Novgorod, ННГУ
Analytical chemistry
Chemistry of high molecular weight compounds
Computational Chemistry
Inorganic chemistry
Materials Science
Organic Chemistry
Physical Chemistry
Spectroscopy
Dates
16-18 April 2024
Application dates
To 1 December 2023

Online intensive on molecular dynamics methods and machine-learning potentials

Computational Chemistry
Machine learning
Dates
27 January 2024 — 5 February 2024
Application dates
To 19 January 2024

Fundamental Principles of Catalysis workshop 2023

 Russia, Moscow, Сколтех
Catalysis
Computational Chemistry
Materials Science
Dates
27-28 November 2023
Application dates
To 15 October 2023

The 27th International Electronic Conference on Synthetic Organic Chemistry

Bioorganic chemistry
Chemistry of high molecular weight compounds
Computational Chemistry
Medical Chemistry
Organic Chemistry
Supramolecular chemistry
Synthesis
Dates
15-30 November 2023
Application dates
To 15 September 2023
Лаборатория цифрового материаловедения НИТУ МИСИС приглашает студентов, аспирантов и молодых ученых!
Moscow
Collaboration
Free
Computational Chemistry
Condensed Matter Physics
Materials Science
Nanotechnology
Quantum Chemistry
12 May 2023
Открыт прием статей в специальный выпуск «Computational Chemistry and Organic Process Research and Development» (Open Access Journal Processes, IF 3.352)
Moscow
Proposition
Paid
Computational Chemistry
Organic Chemistry
Synthesis
2 November 2022