Workshop: Modern Approaches to Coupling Scales In Materials Simulations

From Electronic Structure to Applications via Coarse Graining and Machine Learning


Date: 02.07.-04.07.2018

Location: Conference Hotel Jäger von Fall, Lenggries, Bavaria


  • Public Transport: A shuttle service to the venue from the nearest train station (Lenggries) will be provided. Lenggries station can be reached e.g. from Munich main station (München Hbf) with the Bayerische Oberlandbahn (BOB)
  • By car: The nearest larger town is Bad Tölz, which can be reached either via Autobahn 8 or 95. From there take road 13 to Lenggries and Sylvensteinsee. A google maps link is provided here.

Conference Fee: 200€ (payable to the conference hotel, accommodation not included)

Register now!

The workshop will cover current research in multiscale simulation, with a focus on how empirical, coarse-grained or continuum models can be constructed from first-principles calculations. Registration is now open for contributed oral or poster presentations. To apply, send an abstract to or Limited financial support for doctoral students is available upon request. 

Organizers: Harald Oberhofer and Johannes Margraf


  • Empirical and machine-learning potentials from first-principles calculations
  • From electronic structure to macroscopic observables
  • Multiscale and embedding techniques in first-principles approaches 

 Confirmed Speakers:

  • Denis Andrienko (MPI Mainz)
  • Jörg Behler (Göttingen)
  • Tristan Bereau (MPI Mainz)
  • Jochen Blumberger (London)
  • Tim Clark (Erlangen)
  • Volker Deringer (Cambridge)
  • Pavlo Dral (MPI Mühlheim)
  • Sibylle Gemming (Helmholtz-Zentrum Dresden-Rossendorf)
  • Thomas Hammerschmidt (Bochum)
  • Bernd Hartke (Kiel)
  • Nicolas Hörmann (Lausanne)
  • Anatole von Lilienfeld (Basel)
  • Andrew Logsdail (Cardiff)
  • Noa Marom (Carnegie Mellon University)
  • Sebastian Matera (Berlin)
  • Bernd Meyer (Erlangen)
  • Thomas Miller III (Caltech)
  • Karsten Reuter (TUM)
  • Patrick Rinke (Aalto)
  • Matthias Rupp (Berlin)
  • Milica Todorovic (Aalto)

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


Preliminary Program:

View onto Lake Sylvenstein. © Hotel Jäger von Fall