Verification Project

Building on the common interface developed in aiida-common-workflows, we are working on a large scale cross-verification project of the supported codes based on calculating the equation of state for a set of prototypical compounds for each element (Z = 1-96). For more information see:

https://github.com/aiidateam/acwf-verification-scripts

Team

The AiiDA common workflows verification project is the result of a large international collaboration of developers and researchers:

Emanuele Bosoni(1), Louis Beal(2), Marnik Bercx(3), Peter Blaha(4), Stefan Blügel(5), Jens Bröder(5), Martin Callsen(6,7), Stefaan Cottenier(6), Augustin Degomme(2), Vladimir Dikan(1), Kristjan Eimre (3), Espen Flage-Larsen(8,9), Marco Fornari (10), Alberto Garcia(1), Luigi Genovese(2), Matteo Giantomassi(11), Sebastiaan P. Huber(3), Henning Janssen(5), Georg Kastlunger(12), Matthias Krack(13), Thomas D. Kühne(14), Kurt Lejaeghere(6,15), Georg K. H. Madsen(4), Nicola Marzari(3,13), Gregor Michalicek(5), Hossein Mirhosseini(14), Tiziano M. A. Müller(16), Guido Petretto(11), Chris J. Pickard(17,18), Samuel Poncé(11), Gian-Marco Rignanese(11), Oleg Rubel(19), Thomas Ruh(4,6), Michael Sluydts(6,20), Danny E. P. Vanpoucke(6,21), Sudarshan Vijay(12), Michael Wolloch(22,23), Daniel Wortmann(5), Aliaksandr V. Yakutovich(24), Jusong Yu (3), Austin Zadoks(3), Bonan Zhu(25,26), Giovanni Pizzi(3)

Affiliations:

1. ICMAB-CSIC, Spain
2. Univ. Grenoble-Alpes, CEA, France
3. EPFL, Switzerland
4. Technical University of Vienna, Austria
5. Forschungszentrum Jülich, Germany
6. Ghent University, Belgium
7. Academia Sinica, Taiwan
8. SINTEF Industry, Norway
9. University of Oslo, Norway
10. Central Michigan University, USA
11. Université catholique de Louvain, Belgium
12. DTU, Denmark
13. PSI, Switzerland
14. University of Paderborn, Germany
15. OCAS NV/ArcelorMittal Global R&D, Belgium
16. HPE HPC/AI Research Lab, Switzerland
17. University of Cambridge, United Kingdom
18. Tohoku University, Japan
19. McMaster University, Canada
20. ePotentia, Belgium
21. Hasselt University, Belgium
22. University of Vienna, Austria
23. VASP Software GmbH, Austria
24. Empa, Switzerland
25. University College London, United Kingdom
26. The Faraday Institution, United Kingdom