Phase II

Projects and group leaders involved in phase II

Design & Discovery 1 — Understanding Complex Molecular Crystals: Structure and Properties 

  • Project leader: Michele Ceriotti (EPFL)
  • Computational co-applicants: Clemence Corminboeuf (EPFL), Stefan Goedecker (UniBas), Michele Parrinelo (USI/ETHZ), Anatole von Lilienfeld (UniBas)
  • Partners: Esther Amstad (EPFL), Lyndon Emsley (EPFL)

Design & Discovery 2 — From Atoms to Additive Manufacturing: Computational Design of Complex Metal Alloys  

  • Project leader: William A. Curtin (EPFL)
  • Computational co-applicants: Michele Ceriotti (EPFL), Anatole von Lilienfeld (UniBAS)
  • Partners: Helena Van Swygenhoven (PSI), Christian Leinenbach (Empa)

Design & Discovery 3 — MARLON: MARVEL Design, Discovery and Engineering of Low-Dimensional Materials and Nanostructures

  • Project leader: Nicola Marzari (EPFL)
  • Computational co-applicants: Daniele Passerone (Empa), Mathieu Luisier (ETHZ), Alfredo Pasquarello
    (EPFL), Clemence Corminboeuf (EPFL
  • Partners: Kumar Agrawal (EPFL), Andras Kis (EPFL), Alexandra Radenovic (EPFL),
    Oliver Groning (Empa), Roman Fasel (Empa)

Design & Discovery 4 — Nanoporous Materials Genome: Optical, Catalytic and Electronic Properties

  • Project leader: Berend Smit (EPFL)
  • Computational co-applicants: Jurg Hutter (UZH), Alfredo Pasquarello (EPFL), Ivano Tavernelli (IBM)
  • Partners: Marco Ranocchiari (PSI), Piero Macchi (UniBE), Kyriakos Stylianou (EPFL) 

Design & Discovery 5 — Correlated Transition Metal Oxides and Heterostructures 

  • Project leader: Nicola Spaldin (ETHZ)
  • Computational co-applicants: Ulrich Aschauer (UniBE), Claude Ederer (ETHZ), Philipp Werner (UniFR)
  • Partners: Marisa Medarde (PSI), Urs Staub (PSI)

Design & Discovery 6 — Search for Novel Topological Materials

  • Project leader: Oleg Yazyev (EPFL)
  • Computational co-applicant: Alexey Soluyanov (ETHZ)
  • Partners: Ming Shi (PSI), Hugo Dil (EPFL), Christian Ruegg (PSI and UniGE), Arnaud Magrez (EPFL) 

Incubator 1 — Design and Discovery of Novel Solid-State Ionic Conductors

  • Project leader: Teodoro Laino (IBM)
  • Computational co-applicant: Nicola Marzari (EPFL)
  • Partners: Daniele Pergolesi (PSI), Claire Villevieille (PSI) 

Incubator 2 — Active Machine Learning for Computational Materials Design

  • Project leader: Anatole von Lilienfeld (UniBas)
  • Computational co-applicants: Volker Roth (UniBas), Michele Ceriotti (EPFL) 

Open Science Platform

  • Project leader: Giovanni Pizzi (EPFL) 

HPC and Future Architectures

  • Project leaders: Joost VandeVondele (CSCS), Thomas Schulthess (CSCS and ETHZ)