MateriApps LIVE! and MateriApps Installer: Environment for starting and scaling up materials science simulations

Y Motoyama and K Yoshimi and T Kato and S Todo, SOFTWAREX, 20, 101210 (2022).

DOI: 10.1016/j.softx.2022.101210

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.(c) 2022 The Authors. Published by Elsevier B.V. This is an open access article under the CC BY license (

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