Abstract

We provide an overview of the Adaptive Resolution Simulation method (AdResS) based on discussing its basic principles and presenting its current numerical and theoretical developments. Examples of applications to systems of interest to soft matter, chemical physics, and condensed matter illustrate the method’s advantages and limitations in its practical use and thus settle the challenge for further future numerical and theoretical developments.

Graphic abstract

中文翻译：

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从自适应分辨率到开放系统的分子动力学

摘要

我们在讨论其基本原理并介绍其当前的数值和理论发展的基础上，概述了自适应分辨率模拟方法 (AdResS)。对软物质、化学物理和凝聚态感兴趣的系统的应用示例说明了该方法在实际应用中的优势和局限性，从而解决了未来数值和理论发展的挑战。

图形摘要