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商品描述
This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing both experiment and theory. Simulations provide detailed information about structure and dynamics, essential to understand the many fluid systems that play a key role in our daily lives: polymers, gels, colloidal suspensions, liquid crystals, biological membranes, and glasses. The second edition of this pioneering book aims to explain how simulation programs work, how to use them, and how to interpret the results, with examples of the latest research in this rapidly evolving field. Accompanying programs in Fortran and Python provide practical, hands-on, illustrations of the ideas in the text.
商品描述(中文翻譯)
本書提供了一本實用指南,介紹用於簡單和複雜液體建模的分子動力學和蒙地卡羅模擬技術。計算機模擬是研究凝聚態物質的化學和物理學的重要工具,補充並加強了實驗和理論。模擬提供了有關結構和動力學的詳細信息,這對於理解在我們日常生活中扮演關鍵角色的許多流體系統至關重要:聚合物、凝膠、膠體懸浮液、液晶、生物膜和玻璃。本書的第二版旨在解釋模擬程序的運作方式、如何使用它們以及如何解釋結果,並提供了該快速發展領域最新研究的範例。隨書附帶的 Fortran 和 Python 程序提供了文本中概念的實用實例。