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

Topics:

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

Speakers:

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.

Program: