Молекулярная динамика и оптимизация наноструктур. Формула NanoDynOpt. ИВВ

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в системе. Метод молекулярной динамики на основе силового поля широко используется для исследования различных физических и химических процессов в системах с атомарной и молекулярной структурой.

      3. Квантовая молекулярная динамика: Этот метод объединяет молекулярную динамику и квантовую механику и позволяет описывать квантовые эффекты в молекулярных системах, такие как квантовые переходы и квантовая диффузия. Квантовая молекулярная динамика может быть полезна для исследования процессов, которые протекают на квантовом уровне, таких как химические реакции, изотопный обмен и электронные переходы.

      Конец ознакомительного фрагмента.

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