International Workshop on Computational Design and Discovery of Novel Materials

SwissTech Convention Center, EPFL, Lausanne (Switzerland)

10-12 September 2018

Download the booklet of the conference here.

Download the printable program here here.

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)
  • Silvana Botti (University of Jena, Germany)
  • Gábor Csányi (University of Cambridge, UK)
  • 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)
  • Mariana Rossi (Fritz Haber Institute, Germany)
  • Michiel Sprik (University of Cambridge, UK)
  • Mark E. Tuckerman (New York University, USA)

Workshop Chairs

  • Alfredo Pasquarello and Nicola Marzari (EPFL)

Session Chairs

  • Michele Ceriotti (EPFL)
  • Clemence Corminboeuf (EPFL)
  • Claude Ederer (ETH Zurich)
  • Stefan Goedecker (University of Basel)
  • Juerg Hutter (University of Zurich)
  • O. Anatole von Lilienfeld (University of Basel)
  • Daniele Passerone (Empa)
  • Thomas Schulthess (CSCS and ETH Zurich)
  • Berend Smit (EPFL)
  • Alexey A. Soluyanov (University of Zurich)
  • Philipp Werner (University of Fribourg)
  • Oleg V. Yazyev (EPFL)

General information about the workshop

The Welcome Desk is located on the workshop premises and is open on Monday Sept 10 (8:45-14:00); Tue Sept 11 (8:30-14.00) and Wed Sept 12 (8:15-11:00), and during the poster sessions. All the participants should go to the Welcome Desk in order to get their badge and documentation. Please be aware that without badge, access to the workshop premises may be denied.

The conference room is equipped with a beamer. Please bring your own laptop computer to use during your presentation.

Posters will be presented in the hall next to the conference room on Monday and on Tuesday evening. The poster boards will be numbered according to the ID indicated in the List of posters. The posters related to sessions 1 until 4 may be set up as of Monday morning and must be removed just after the Poster Session I on Monday evening. The posters related to sessions 5 until 10 may be set up as of Tuesday morning and must be removed just after the Poster Session II on Tuesday evening. Maximum poster size is A0, portrait.

Coffee breaks, lunches and aperitifs will be served in the hall next to the conference room. They are included in the registration fees. A conference dinner is organized on Tuesday Sept 11 for the keynote speakers, they have been informed by email. Bus transport is organized, with departure at 19:15.

We are looking forward to seeing you all in Lausanne!

Last updated on 3 September 2018.