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

The workshop covered current research in multiscale simulation, with a focus on how empirical, coarse-grained or continuum models can be constructed from first-principles calculations. 

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 

 Invited 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)
  • 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: