Workshop: Modern Approaches to Coupling Scales In Materials Simulations

From Electronic Structure to Applications via Coarse Graining and Machine Learning


Date: 29.06.-01.07.2020

Location: Online via Zoom

This workshop will cover current research in multiscale simulation, with a focus on the treatment of long range interactions in machine-learned potentials.

Organizers: Albert Bruix, Nico Hörmann, Johannes Margraf, and Harald Oberhofer


  • Long-range effects in machine-learned force fields
  • Modern polarizeable force fields
  • Advanced dispersion methods

Registration :

Prospective participants who want to listen to the talks and join the discussion
should email to : Harald Oberhofer or Johannes Margraf
the relevant zoom links will be distributed to registered participants


  • Nongnuch Artrith (Columbia U)
  • Robert Baldock (Google)
  • Jörg Behler (Göttingen)
  • Jochen Blumberger (UC London)
  • Menno Bokdam (Vienna U)
  • Bingqing Chen (Cambridge)
  • Gábor Csányi (Cambridge)
  • Ralf Drautz (Bochum)
  • Stefan Goedecker (Basel)
  • Andrea Grisafi (EPFL) 
  • Andrew Logsdail (Cardiff)
  • Reinhard Maurer (Warwick)
  • Alston Misquitta (QMU London) 
  • Alexandre Tkatchenko (U Luxembourg)
  • Rochus Schmid (RU Bochum)

Funding by DFG, Psi-k and the International Graduate School of Science and Engineering (IGSSE) is gratefully acknowledged.