Team#

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.

The AiiDA Development team (alphabetical order)#

Portrait

Edan Bainglass
PostDoc Research Scientist, Materials Software and Data Group, PSI

Portrait

Marnik Bercx
PostDoc Research Scientist, Materials Software and Data Group, PSI\

Portrait

Miki Bonacci
PostDoc Research Scientist, Materials Software and Data Group, PSI

Portrait

Kristjan Eimre
PostDoc Research Scientist, Materials Software and Data Group, PSI

Portrait

Julian Geiger
PostDoc Research Scientist, Materials Software and Data Group, PSI

Portrait

Alexander Goscinski
PostDoc Research Scientist, Materials Software and Data Group, PSI

Portrait

Sebastiaan P. Huber
Former PostDoc Research Scientist, Theory and Simulation of Materials, EPFL

Portrait

Ali Khosravi
PostDoc Research Scientist, Materials Software and Data Group, PSI

Portrait

Nicola Marzari
Chair, Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
Head of Laboratory for Materials Simulations, PSI

Portrait

Timo Reents
PhD student, Materials Software and Data Group, PSI

Portrait

Giovanni Pizzi
Group Leader, Materials Software and Data Group, PSI

Portrait

Xing Wang
PostDoc Research Scientist, Materials Software and Data Group, PSI

Portrait

Aliaksandr Yakutovich
Research Software engineer, Empa

Portrait

Jusong Yu
PostDoc Research Scientist, Materials Software and Data Group, PSI

Former members (alphabetical order)#

  • Simon Adorf (EPFL, 2019-2022)

  • Casper W. Andersen (EPFL, 2018-2021)

  • Andrea Cepellotti (EPFL, 2011-2016)

  • Flaviano Dos Santos (EPFL, 2020-2022)

  • Fernando Gargiulo (EPFL, 2015-2017)

  • Rico Häuselmann (EPFL, 2016-2018)

  • 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)

  • 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)

  • Spyros Zoupanos (EPFL, 2015-2019)

Contact us#

General questions about AiiDA#

Please ask on discourse.

Bug reports#

Please check our GitHub issue tracker whether the bug is already known. If not, please open a new issue.

Feedback on AiiDA#

The AiiDA core developers greatly appreciate feedback on the AiiDA user experience. Your comments and suggestions influence where we focus our development efforts.

Let us know!

Join us#

Are you interested in the intersection of software and computational science?

You love coding and building the tools for the computational science of tomorrow?

Then you might be a candidate for the AiiDA team!

We advertise openings for positions on discourse and the news section, when they become available. But excellent candidates are encouraged to apply throughout the year (you can get contact via our emails). (you can also check open positions on PSI website, THEOS and psi-k mailing list).

Use a 1-page cover letter to explain what motivates you and why you would fit into the team – please note that we don’t consider blanket applications.