Project For Advancement of Software Usability in Materials Science

TL;DR

PASUMS is a project that develops and improves open-source software for materials science, focusing on usability, interoperability, and computational efficiency to support the materials science research community.

Contribution

It introduces a comprehensive effort to enhance software usability and interoperability in computational materials science, including new tools for supercomputing and machine learning integration.

Findings

Development of open-source software for materials science

Enhanced interoperability between different computational tools

Improved usability for supercomputing applications

Abstract

The Institute for Solid State Physics (ISSP) at The University of Tokyo has been carrying out a software development project named ``the Project for Advancement of Software Usability in Materials Science (PASUMS)". Since the launch of PASUMS, various open-source software programs have been developed/advanced, including ab initio calculations, effective model solvers, and software for machine learning. We also focus on activities that make the software easier to use, such as developing comprehensive computing tools that enable efficient use of supercomputers and interoperability between different software programs. We hope to contribute broadly to developing the computational materials science community through these activities.