In the study of rare events in complex systems with many degrees of freedom, a key element is to identify the reaction coordinates of a given process. Over recent years, a number of methods and protocols have been developed to extract the reaction coordinates based on limited information from molecular dynamics simulations. In this review, we provide a brief survey over a number of major methods developed in the past decade, some of which are discussed in greater detail, to provide an overview of the problems that are partially solved and challenges that still remain. A particular emphasis has been placed on methods for identifying reaction coordinates that are related to the committor.

中文翻译：

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识别反应坐标方法的最新进展


在研究具有多个自由度的复杂系统中的罕见事件时，一个关键要素是识别给定过程的反应坐标。近年来，已经开发了许多方法和协议来根据分子动力学模拟的有限信息提取反应坐标。在这篇综述中，我们对过去十年中开发的一些主要方法进行了简要调查，其中一些方法进行了更详细的讨论，以概述部分解决的问题和仍然存在的挑战。特别强调了用于识别与提交者相关的反应坐标的方法。