# Challenges for Verifying and Validating Scientific Software in Computational Materials Science

## TL;DR

This paper discusses the importance of quality assurance in scientific software for computational materials science, identifying key challenges and proposing future research directions to improve validation and verification processes.

## Contribution

It formulates specific challenges in verifying and validating scientific software in CMS based on domain experience and suggests future research directions.

## Key findings

- Identified key challenges in software validation for CMS
- Outlined future research directions for quality assurance
- Emphasized importance of trust in scientific software results

## Abstract

Many fields of science rely on software systems to answer different research questions. For valid results researchers need to trust the results scientific software produces, and consequently quality assurance is of utmost importance. In this paper we are investigating the impact of quality assurance in the domain of computational materials science (CMS). Based on our experience in this domain we formulate challenges for validation and verification of scientific software and their results. Furthermore, we describe directions for future research that can potentially help dealing with these challenges.