Team
Meet the people behind AiiDA.
Core development (alphabetical order)
Edan Bainglass
Scientist, Materials Software and Data Group, PSI
Julian Geiger
Postdoctoral Researcher, Materials Software and Data Group, PSI
Alexander Goscinski
Postdoctoral Researcher, Materials Software and Data Group, PSI
Ali Khosravi
Postdoctoral Researcher, Materials Software and Data Group, PSI
Timo Reents
PhD student, Materials Software and Data Group, PSI
Aliaksandr Yakutovich
Research Software engineer, Empa
Leadership (alphabetical order)
Giovanni Pizzi
Group Leader, Materials Software and Data Group, PSI
Nicola Marzari
Chair, Theory and Simulation of Materials, EPFL · Director, NCCR MARVEL · Head of LMS, PSI
Former members (alphabetical order)
- Simon Adorf (EPFL, 2019–2022)
- Casper W. Andersen (EPFL, 2018–2021)
- Marnik Bercx (PSI, 2020-2026)
- Miki Bonacci (PSI, 2023–2026)
- Andrea Cepellotti (EPFL, 2011–2016)
- Flaviano Dos Santos (EPFL, 2020–2022)
- Kristjan Eimre (PSI, 2022–2026)
- Fernando Gargiulo (EPFL, 2015–2017)
- Rico Häuselmann (EPFL, 2016–2018)
- Sebastiaan P. Huber (EPFL, 2016-2024)
- Conrad Johnston (EPFL, 2018–2019)
- Leonid Kahle (EPFL, 2015–2020)
- Boris Kozinsky (Bosch, first pre-AiiDA prototypes before 2012, and 2012-2018)
- Snehal Kumbhar (EPFL, 2015–2020)
- Zisen Liu (PSI, 2024-2025)
- Andrius Merkys (EPFL, 2014–2015)
- Nicolas Mounet (EPFL, 2015–2018)
- Elsa Passaro (EPFL, 2017–2021)
- Francisco F. Ramirez (EPFL, 2019–2023)
- Riccardo Sabatini (EPFL, 2013–2015)
- Christopher Sewell (EPFL, 2020–2023)
- Leopold Talirz (EPFL, 2017–2024)
- Martin Uhrin (EPFL, 2015–2019)
- Xing Wang (PSI, 2022-2026)
- Jusong Yu (PSI, 2020–2026)
- Spyros Zoupanos (EPFL, 2015–2019)
Credits
AiiDA is a joint effort of the Materials Software and Data group (part of the LMS laboratory at PSI, Switzerland), THEOS laboratory at EPFL (Switzerland), and Bosch RTC in Cambridge MA (USA). Its development is supported by NCCR MARVEL and a number of additional supporting partners and institutions. Data generated with AiiDA are disseminated through materialscloud.org.
External contributors
Besides the AiiDA development team listed below, we thank our numerous external code contributors as well as all plugin developers for making the AiiDA ecosystem what it is today.
Contact us
General questions
Please ask on Discourse.
Bug reports
Check our GitHub issue tracker whether the bug is already known. If not, please open a new issue.
Feedback
The AiiDA core developers greatly appreciate feedback on the AiiDA user experience. Your comments and suggestions influence where we focus our development efforts.
Join us
Interested in the intersection of software and computational science? We advertise openings on Discourse and the News section. Excellent candidates are encouraged to apply throughout the year.
Check open positions on the PSI website, THEOS, and the psi-k mailing list.