Recently a non-empirical stochastic walker algorithm has been developed to search for the minimum-energy escape paths (MEP) from the minima of the potential surface [J. Phys. Soc. Jpn. 87, 063801 (2018); Physica A, 528, 121481 (2019)]. This method is based on the Master equation for the distribution function of the atomic configuration which has a nature to seek the MEP up along the valley of the potential surface. This paper introduces AtomREM (Atomistic Rare Event Manager), which is an MPI parallelized solver program package for executing this method, which yields minimum energy reaction pathways in terms of the microscopic evolution of atomic positions. It is open-source and released under the GNU General Public License (GPL). AtomREM interfaces with the LAMMPS Molecular Dynamics Simulator as a library of versatile potential functions for application to various systems. Examples of the applications to molecular and solid systems are presented.

中文翻译：

---

AtomREM：在没有粗粒度的多维潜在景观上最小能量逃逸路径的非经验寻求者

最近开发了一种非经验随机游走算法来从势面的最小值搜索最小能量逃逸路径（MEP）[J. 物理。社会。日本。87、063801（2018）；物理学 A,​​ 528, 121481 (2019)]。该方法基于原子配置分布函数的主方程，该方程具有沿势面谷向上寻找 MEP 的性质。本文介绍了 AtomREM（Atomistic Rare Event Manager），它是一个用于执行该方法的 MPI 并行化求解器程序包，它根据原子位置的微观演化产生最小能量反应路径。它是开源的，并在 GNU 通用公共许可证 (GPL) 下发布。AtomREM 与 LAMMPS 分子动力学模拟器接口，作为可应用于各种系统的多功能潜在函数库。介绍了在分子和固体系统中的应用实例。