Workflow Engineering in Materials Design within the BATTERY 2030 + Project

Author:

Schaarschmidt Joerg1,Yuan Jie1,Strunk Timo2,Kondov Ivan3,Huber Sebastiaan P.4,Pizzi Giovanni4,Kahle Leonid5,Bölle Felix T.6,Castelli Ivano E.6,Vegge Tejs6,Hanke Felix7,Hickel Tilmann8,Neugebauer Jörg8,Rêgo Celso R. C.1ORCID,Wenzel Wolfgang1ORCID

Affiliation:

1. Karlsruhe Institute of Technology (KIT) Institute of Nanotechnology KIT 76344 Eggenstein‐Leopoldshafen Germany

2. Nanomatch GmbH 76185 Karlsruhe Germany

3. Karlsruhe Institute of Technology (KIT) Steinbuch Centre for Computing 76344 Eggenstein‐Leopoldshafen Germany

4. Theory and Simulation of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL) École Polytechnique Fédérale de Lausanne Lausanne CH‐1015 Switzerland

5. National Centre for Computational Design and Discovery of Novel Materials (MARVEL) IBM Research Europe Rüschlikon CH‐8803 Switzerland

6. Department of Energy Conversion and Storage Technical University of Denmark Kgs. Lyngby DK‐2800 Denmark

7. Dassault Systèmes BIOVIA 334 Science Park Cambridge CB4 0WN UK

8. Max‐Planck‐Institut für Eisenforschung Department Computational Materials Design 40237 Düsseldorf Germany

Funder

Bundesministerium für Bildung und Forschung

Horizon 2020 Framework Programme

National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials

Publisher

Wiley

Subject

General Materials Science,Renewable Energy, Sustainability and the Environment

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