The Laboratory of Quantum Chemistry and Molecular Modeling supervises the 13th group of the Faculty of Chemistry “Computer modeling in chemistry”
Basic information.
In the 13th group, students study in depth the theoretical foundations of modern molecular modeling methods as an addition to the basic curriculum of the Faculty of Chemistry.
Curators of 13th group
For questions about admission or transfer to group 13 or other other questions, you can contact the group curators:
- Ph.D., senior researcher Firsov Denis Arkadievich
- Doctor of Physical and Mathematical Sciences, prof. Khrenova Maria Grigorievna khrenova.maria@gmail.com)
Specifics of education in the 13th group
For the group of computer modeling in chemistry, lectures on most subjects are given separately - students have the opportunity to directly contact experienced teachers. For practical work, computer technology of various levels is available - from personal computers to supercomputers of the Moscow State University computer center.
The group of computer modeling in chemistry keeps pace with modern trends in education and science. In computer science classes, we study both the programming languages C and C++, as well as Python and its applications for scientific work. In the 3rd and 4th years, an additional subject appears - mathematical methods of chemistry, where students are introduced to the applications of computational methods for solving chemical problems, as well as the basics of machine learning and artificial intelligence.
When the time comes for assignment to laboratories for specialization in a specific area of chemistry and completion of theses, all departments of the faculty are open to the students of the group, where they can successfully apply the acquired knowledge.
Why do we need modelling?
Modeling is especially valuable in those areas of science where computer experiments can provide new knowledge faster and more efficiently than in a chemistry laboratory. Modern computer modeling capabilities allow:
To purposefully design the structures of new potential medicinal substances that optimally interact with a given biotarget responsible for the manifestation of a particular disease, in the interests of medicinal chemistry.
Provide visualization of chemical reactions in complex molecular systems, including protein complexes, for the benefit of chemical enzymology.
Offer options for composites of a wide variety of chemical compounds in the interests of materials science.
Apply modern computer technologies for qualified processing of results and planning of chemical experiments.
History of the creation of 13th group
A special group with mathematical training was recruited from second-year students of the Faculty of Chemistry back in 1971. According to a special curriculum, students studied modern methods for modeling chemical processes and methods for processing experimental results using electronic computers.
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