AiiDA
Automated Interactive Infrastructure and Database for Computational Science


Journal article  G. Pizzi et al. Comp. Mat. Sci. 111, 218-230 (2016)
Open access preprint  arXiv:1504.0116 [physics.comp-ph]

Team

Credits

The AiiDA project is a joint effort of THEOS/MARVEL at EPFL (Switzerland) and of Bosch RTC in Cambridge MA (USA). Its development is supported by the Swiss MARVEL NCCR and the European Center of Excellence MaX (Materials design at the Exascale).
The data dissemination platform is available at materialscloud.org.

The AiiDA team

Giovanni Pizzi

Staff Scientist, Theory and Simulation of Materials, EPFLepfl.ch

Spyros Zoupanos

PostDoc Software Engineer, Theory and Simulation of Materials, EPFLepfl.ch

Sebastiaan P. Huber

PostDoc Research Scientist, Theory and Simulation of Materials, EPFLepfl.ch

Martin Uhrin

PostDoc Research Scientist, Theory and Simulation of Materials, EPFLepfl.ch

Snehal P. Kumbhar

Web/Data Engineer, Theory and Simulation of Materials, EPFLepfl.ch

Leopold Talirz

PostDoc Research Scientist, Laboratory of molecular simulation, EPFLepfl.ch

Aliaksandr Yakutovich

PostDoc Research Scientist, Laboratory of molecular simulation, EPFLepfl.ch

Conrad Johnston

PostDoc Research Scientist, Theory and Simulation of Materials, EPFLepfl.ch

Casper W. Andersen

PostDoc Research Scientist, Theory and Simulation of Materials, EPFLepfl.ch

Leonid Kahle

PhD Student, Theory and Simulation of Materials, EPFLepfl.ch

Boris Kozinsky

Director at Bosch Research and Technology Center, Cambridge MA (USA)bosch.com

Nicola Marzari

Chair, Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
epfl.ch

Former members

  • Riccardo Sabatini (EPFL, 2013-2015 – now at Human Longevity)
  • Andrea Cepellotti (EPFL, 2011-2016 – now at UC Berkeley)
  • Andrius Merkys (EPFL, 2014-2015, – now at Vilnius University Institute of Biotechnology)
  • Nicolas Mounet (EPFL, 2015-2018 – now at CERN)
  • Rico Häuselmann (EPFL, 2016-2018 – now at IBM research)
  • Fernando Gargiulo (EPFL, 2015-2017, – now at ENEL Italy)

AiiDA contributors

We acknowledge all the contributors to the code. As the list is becoming pretty long, we keep it up to date directly in the code on GitHub.

Furthermore, we also acknowledge the contributions of all plugin developers.