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КВАНТОВО-ХИМИЧЕСКОЕ МОДЕЛИРОВАНИЕ КАК МЕТОД НАУЧНОГО ПОЗНАНИЯ ФИЗИКО-ХИМИЧЕСКИХ ПРОЦЕССОВ
Дата публикации
22 апреля 2021 г.
Тип
journal article
Выпуск
1
Первая страница
38
Последняя страница
46
Аннотация
Currently, computer modeling is one of the key tools in scientific and practical research. Computer modeling is an essential principle of modern scientific knowledge. Model development depends on the purpose of the study and the amount of data collected. In physical studies, experimental methods are not available in some aspects. The article presents quantum- chemical simulation of physical phenomena and processes, which represent the most promising direction of using information technology in physical education. The Vienna Ab initio Simulation Package (VASP) is a computer program for atomic scale materials modelling.
Области науки (FoS)