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Интеллектуальная Система Тематического Исследования НАукометрических данных |
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The Simplified String Method in the Calculation of the Minimum Energy Pathстатья
- Авторы: Poluyan S.V., Ershov N.M.
- Журнал: Computational Mathematics and Modeling
- Год издания: 2025
- Издательство: Consultants Bureau
- Местоположение издательства: United States
- Первая страница: 1
- Последняя страница: 8
- DOI: 10.1007/s10598-025-09609-z
- Аннотация: The problem of determining a minimum energy path is a common aspect in modeling various processes within physical and chemical kinetics. Often, this path corresponds to the transition of the modeled molecular system from one state to another. In this paper, we present a formulation of the problem related to identifying such a path, along with one approach for its determination – the simplified string method. We implement the method using numerical differentiation and investigate the impact of parameters on the formation of paths across different problems.
- Добавил в систему: Ершов Николай Михайлович