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Название: Molecular Simulations: Fundamentals and Practice
Автор: Saman Alavi
Издательство: Wiley-VCH
Год: 2020
Формат: PDF
Страниц: 335
Размер: 10,29 МБ
Язык: English
Provides hands-on knowledge enabling students of and researchers in chemistry, biology, and engineering to perform molecular simulations
This book introduces the fundamentals of molecular simulations for a broad, practice-oriented audience and presents a thorough overview of the underlying concepts. It covers classical mechanics for many-molecule systems as well as force-field models in classical molecular dynamics; introduces probability concepts and statistical mechanics; and analyzes numerous simulation methods, techniques, and applications.