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Information × Registration Number 0122U201915, ( 0223U003648  ) 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 2 Head Ilnytskyi Yaroslav М., Доктор фізико-математичних наук Registration Date 28-12-2022 Organization Institute of Condensed Matter Physics of the National Academy of Sciences of Ukraine popup.description1 Development and application of algorithms for modelling a number of complex systems to solve scientific and scientific-practical problems, namely: (i) development of parallel software code for effective large-scale modeling by the method of molecular dynamics to describe new functional materials based on polymer compounds and metal nanoparticles; (ii) development of machine learning approaches for predicting binding affinity between proteins and small organic compounds in molecular docking tasks; (iii) development of optimization algorithms for wireless mesh networks; (iv) development of a cloud computing resource for scientific computing with the use of GPU accelerators. popup.nrat_date 2024-12-09 Close