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Information × Registration Number 0121U111389, ( 0222U004190  ) R & D request Title Development of computer simulation methods and application software for solving scientific and practical problems using high-performance computing based on the Western Regional Grid Center and UNG. Stage 1 Head Ilnytskyi Yaroslav М., Доктор фізико-математичних наук Registration Date 04-06-2021 Organization Institute of Condensed Matter Physics of the National Academy of Sciences of Ukraine popup.description1 The goal of the project is to develop high-performance algorithms and methods of computer modeling for complex molecular and colloidal systems, including software development that with the use of technologies of parallel programming (MPI, OpenMP) and machine learning. The main focus of this work will be on a possibility to describe biological molecular systems and to study their self-assembly, adsorption and other physicochemical properties which are specific for such complex soft matter systems. The proposed approaches will be used to solve several problems that are important from the point of designing and manufacturing new functional materials, of searching and developing drugs, as well as of the optimization and management of biochemical processes in industry or in living organisms. The project will be performed on the basis of the Western Regional Grid Center and other UNG grid sites involved in the Program. popup.nrat_date 2024-12-09 Close