International Workshop on Computational Design and Discovery of Novel Materials

SwissTech Convention Center, EPFL, Lausanne (Switzerland)

10-12 September 2018

This international workshop focuses on conceptual and methodological advances underlying the computational design and discovery of novel materials and aims at attracting and gathering researchers on a worldwide scale.

The workshop is organized in 10 sessions covering electrochemical interfaces & catalysis, halide perovskites, topological insulators, multifunctional oxides, methods beyond DFT, high-throughput searches, metal organic frameworks, two-dimensional materials, sampling, and machine learning.

The workshop is sustained by a series of outstanding keynote lectures and will be further enriched by contributed talks selected among submitted abstracts from the participants. The workshop thus aims at providing a showcase of the current status of research in the computational study of materials.

The workshop is organized and hosted by the National Center of Competence in Research (NCCR) MARVEL, an effort funded by the Swiss National Science Foundation for the Computational Design and Discovery of Novel Materials.

Keynote speakers

  • Ryotaro Arita (RIKEN, Japan)
  • Andrei Bernevig (Princeton University, USA)
  • Gábor Csányi (University of Cambridge, UK)
  • Stefano Curtarolo (Duke University, USA)
  • Marc Koper (University of Leiden, The Netherlands)
  • Arkady Krasheninnikov (Aalto University, Finland)
  • Georg Kresse (University of Vienna, Austria)
  • Frank Lechermann (University of Hamburg, Germany)
  • Caroline Mellot-Draznieks (Collège de France, Paris)
  • Jeff Neaton (University of California, USA)
  • Michele Parrinello (Università della Svizzera italiana and ETHZ, Switzerland)
  • Michiel Sprik (University of Cambridge, UK)
  • Mark E. Tuckerman (New York University, USA)


Workshop Chairs

  • Alfredo Pasquarello and Nicola Marzari

Session Chairs

  • Ulrich Aschauer
  • Michele Ceriotti
  • Clemence Corminboeuf
  • Claude Ederer
  • Stefan Goedecker
  • Juerg Hutter
  • O. Anatole von Lilienfeld
  • Daniele Passerone
  • Ursula Roethlisberger
  • Thomas Schulthess
  • Berend Smit
  • Alexey A. Soluyanov
  • Nicola Spaldin
  • Philipp Werner
  • Oleg V. Yazyev

We are looking forward to seeing you all in Lausanne!