论文标题
材料活着！和Materiapps安装程序：启动和扩展材料科学模拟的环境
MateriApps LIVE! and MateriApps Installer: Environment for starting and scaling up materials science simulations
论文作者
论文摘要
在我们当前的时代，数值模拟已成为每日研究活动，尤其是在材料科学领域的日常研究活动中必不可少的理论和实验工具。但是，此类仿真的安装过程经常变得有问题，因为它们在很大程度上取决于设备环境，而对这些过程进行故障排除是初学者的一项挑战。为了最大程度地减少这种困难，我们创建了Materiapps Live！和Materiapps安装程序，可以解决大多数相关问题。具体来说，Materiapps Live！提供了一个虚拟环境，在该环境中，用户可以在个人计算机上快速尝试计算材料科学模拟，而Materiapps Installer在UNIX，Linux，MacOS和SuperComputer Systems上安装软件时提供了一组全面的Shell脚本。在此，我们提供了有关Materiapps Live的详细描述！和Materiapps安装程序以及使用的说明示例。
In our current era, numerical simulations have become indispensable theoretical and experimental tools for use in daily research activities, particularly in the materials science fields. However, the installation processes for such simulations frequently become problematic because they depend strongly on the device environment, and troubleshooting those processes is a challenging task for beginners. To minimize such difficulties, we created MateriApps LIVE! and MateriApps Installer, which can solve most of the related issues. Specifically, MateriApps LIVE! offers a virtual environment in which users can quickly try out computational materials science simulations on a personal computer while MateriApps Installer provides a comprehensive set of shell scripts for use when installing software on Unix, Linux, macOS, and supercomputer systems. Herein, we provide detailed descriptions of MateriApps LIVE! and MateriApps Installer together with illustrative examples of their use.
