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Challenges for Verifying and Validating Scientific Software in Computational Materials Science

Vogel, Thomas and Druskat, Stephan and Scheidgen, Markus and Draxl, Claudia and Grunske, Lars (2019) Challenges for Verifying and Validating Scientific Software in Computational Materials Science. 2019 IEEE/ACM 14th International Workshop on Software Engineering for Science, 28. Mai 2019, Montreal, Canada. DOI: 10.1109/SE4Science.2019.00010

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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

Item URL in elib:https://elib.dlr.de/127080/
Document Type:Conference or Workshop Item (Speech)
Additional Information:Open access preprint: https://arxiv.org/abs/1906.09179.
Title:Challenges for Verifying and Validating Scientific Software in Computational Materials Science
Authors:
AuthorsInstitution or Email of AuthorsAuthors ORCID iD
Vogel, ThomasComputer Science Department, Humboldt-Universität zu BerlinUNSPECIFIED
Druskat, StephanStephan.Druskat (at) dlr.dehttps://orcid.org/0000-0003-4925-7248
Scheidgen, MarkusPhysics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, Berlin, GermanyUNSPECIFIED
Draxl, ClaudiaPhysics Department and IRIS Adlershof, Humboldt-Universität zu Berlin, Berlin, GermanyUNSPECIFIED
Grunske, LarsComputer Science Department, Humboldt-Universität zu BerlinUNSPECIFIED
Date:5 September 2019
Refereed publication:Yes
Open Access:Yes
Gold Open Access:No
In SCOPUS:No
In ISI Web of Science:No
DOI :10.1109/SE4Science.2019.00010
Page Range:pp. 25-32
Status:Published
Keywords:materials science computing;program verification;software quality;computational materials science;software systems;results scientific software;quality assurance;validating scientific software;research questions;CMS;Software;Materials science and technology;Testing;Software engineering;Complexity theory;Physics;Standards;Validation and Verification;Scientific Software;Computational Materials Science
Event Title:2019 IEEE/ACM 14th International Workshop on Software Engineering for Science
Event Location:Montreal, Canada
Event Type:Workshop
Event Dates:28. Mai 2019
Organizer:IEEE/ACM
HGF - Research field:Aeronautics, Space and Transport
HGF - Program:Space
HGF - Program Themes:Space Technology
DLR - Research area:Raumfahrt
DLR - Program:R SY - Technik für Raumfahrtsysteme
DLR - Research theme (Project):R - Vorhaben SISTEC
Location: Berlin-Adlershof
Institutes and Institutions:Institut of Simulation and Software Technology
Institut of Simulation and Software Technology > Distributed Systems and Component Software
Deposited By: Druskat, Stephan
Deposited On:04 Dec 2019 10:34
Last Modified:04 Dec 2019 10:34

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