Contact

Team

Project Leaders

Nicola Marzari

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

epfl.ch nccr-marvel.ch psi.ch

Thomas Schulthess

Full Professor of computational physics, ETH Director, Swiss National Supercomputing Center, CSCS

ethz.ch cscs.ch

Berend Smit

Chair, Laboratory of molecular simulation, EPFL

epfl.ch nccr-marvel.ch

Team Leaders

Giovanni Pizzi

Group leader, Materials Software and Data Group, PSI

psi.ch

Joost VandeVondele

Associate Director, Swiss National Supercomputing Center, CSCS

ethz.ch cscs.ch

Carlo Pignedoli

Deputy Group Leader, nanotech@surfaces laboratory, Empa

empa.ch

Core Developers

Roberto Bendinelli

Software developer, CECAM & Theory and Simulation of Materials, EPFL

epfl.ch

Kristjan Eimre

PostDoc, Materials Software and Data Group, PSI

psi.ch

Guillaume Fraux

PostDoc Research Scientist, Laboratory of Computational Science and Modelling, EPFL

epfl.ch

Valeria Granata

PostDoc Web Engineer, Theory and Simulation of Materials, EPFL

epfl.ch

Bud Macaulay

PostDoc, Materials Software and Data Group, PSI

psi.ch

Xing Wang

PostDoc, Materials Software and Data Group, PSI

psi.ch

Aliaksandr Yakutovich

Research Scientist, nanotech@surfaces laboratory, Empa

empa.ch

Jusong Yu

PostDoc, Materials Software and Data Group, PSI

psi.ch

Former Members

• Dou Du (2019-2024), formerly THEOS, EPFL.
• François Liot (2021-2023), formerly THEOS, EPFL.
• Carl Simon Adorf (2019-2022), formerly THEOS, EPFL. Moved to NVIDIA
• Marco Borelli (2017-2022), formerly THEOS, EPFL.
• Leopold Talirz (2017-2021), formerly LSMO, EPFL. Moved to Microsoft Azure Quantum
• Casper W. Andersen (2018-2021), formerly THEOS, EPFL. Moved to SINTEF, Norway
• Elsa Passaro (2017-2021), formerly THEOS, EPFL. Moved to Red Hat
• Sebastiaan Philippe Huber (2016-2020), formerly THEOS, EPFL. Moved to NCCR Catalysis, EPFL, Switzerland
• Snehal Kumbhar (2015-2020), formerly THEOS, EPFL. Moved to UNIL, Switzerland
• Martin Uhrin (2015-2019), formerly THEOS, EPFL. Moved to DTU, Denmark
• Spyros Zoupanos (2015-2019), formerly THEOS, EPFL. Moved to IAPR, Greece
• Nicolas Mounet (2015-2018), formerly THEOS, EPFL. Moved to CERN, Switzerland
• Fernando Gargiulo (2015-2017), formerly THEOS, EPFL. Moved to ENEL, Italy
• Ole Schütt (2017), formerly nanotech@surfaces laboratory, Empa. Moved to Google Zurich, Switzerland

Team

The Executive Committee of Materials Cloud is currently formed by:

• Kristjan Eimre (EPFL, Switzerland) [2022-] (representative of the Materials Cloud developers)
• Sara Bonella (EPFL and CECAM, Switzerland) [2020-]
• Carlo Pignedoli (Empa, Switzerland) [2020-]
• Nicola Marzari (EPFL, Switzerland) [2018-]
• Elisa Molinari (Unimore and CNR Nano, Italy) [2018-]
• Giovanni Pizzi (PSI, Switzerland) [2018-]
• Berend Smit (EPFL, Switzerland) [2018-]
• Joost VandeVondele (ETHZ and CSCS, Switzerland) [2018-]
• Tejs Vegge (DTU, Denmark) [2020-]

Former members:

• Leopold Talirz (EPFL, Switzerland) [2018-2022] (representative of the Materials Cloud developers)

Materials Cloud@HPC Board

The Materials Cloud@HPC Board, created in late 2020, is currently formed by:

• Fabio Affinito (CINECA, Italy)
• Pekka Manninen (CSC, Finland)
• Giovanni Pizzi (PSI, Switzerland) (Materials Cloud representative)
• Dirk Pleiter (JSC, Germany)
• Joost VandeVondele (CSCS, Switzerland)