Registration Number
0225U000220,
(0124U003762)
, R & D reports
Title
Solving modern problems of chemistry, biomedicine, physics and materials science using the center of high-performance computing and machine learning
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Симуляції експериментів з розпаду динуклонних систем, напрацювання методів та підходів до прогнозування теплофізичних властивостей матеріалів і структур різної розмірності та морфології, інтеграція VIRGO.UA у платформу Multi-Messenger Online Data Analysis
Head
Komarov Ihor V., Доктор хімічних наук
Registration Date
07-01-2025
Organization
Taras Shevchenko National University of Kyiv
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Creation of a new research infrastructural unit - a powerful computer cluster of KNU named after T. Shevchenko, equipped with software packages, and carrying out scientific research on it in the field of nuclear physics, elementary particles, high energies, chemical and bioinformatics, artificial intelligence and computer linguistics
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Relevance. Modern scientific research today is difficult to imagine without the use of computer technologies, so the creation of an infrastructure that will allow increasing the level of use of computer technologies in research in Ukraine is a relevant task.
Project goal. This project envisages the creation of a new research infrastructure unit - a powerful computer cluster of the Taras Shevchenko National University of Kyiv (hereinafter - KNUTKH), equipped with software packages, and conducting scientific research on it in the field of nuclear physics, elementary particles, high energies, chemo- and bioinformatics, artificial intelligence and computer linguistics.
Main tasks, ideas, hypotheses: obtaining the characteristics of a spectrometer for conducting an experiment on the decay of a dineutron through the electron decay channel into a deuteron; using interatomic interaction potentials, parameterized by machine learning methods, for molecular-dynamic modeling of heat transport processes in various materials; research in high-energy astrophysics in the direction of gravitational-wave and neutrino astronomy with the registration of events simultaneously in different spectral ranges and through different observation channels; quantum-chemical studies of new classes of organic molecules - potential building blocks for medicinal chemistry and agrochemistry; computer analysis of the interaction of chemical compounds with biological targets; development, adaptation and fine-tuning of large neural linguistic models and application systems based on them; optimization of computational processes, generation of coherent texts of a given content, as well as recognition of propaganda and fakes in texts and social networks.
Product Description
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Bezshyiko Oleh A.
Boiko Yurii V.
Boretskyi Oleksandr F.
Volochniuk Dmytro M.
Hnatyk Bohdan I.
Horbachenko Oleksandr М.
Ihor O. Zavadskyi
Vasyl V. Kuryliuk
Marchenko Oleksandr A.
Nyporko Oleksii Yu.
Oleh Y. Olikh
Pliuiko Volodymyr A.
Rozhenko Oleksandr B.
Riabukhin Serhii V.
Sakhno Nadiia V.
Sliusar Yevhen A.
Sudakov Oleksandr O.
Taranukha Volodymyr Yu.
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2025-01-07
