Multiscale modelling in materials science, chemistry, and biology

Many interesting research problems cover a broad range of time- and length scales, which are a severe challenge for the multiscale methods developed to date. One of them is that these problems are recursive, i.e., events on longer time-scales influence structure and function on shorter time-scales. The aim of this workshop is to address challenges not covered by standard multi-scale simulation methods, highlighting examples from different fields such as friction, organic semiconductors, heterogeneous catalysis and biological function. Leading scientists cover both state-of-the-art and novel simulation concepts and theoretical approaches to address such scale-bridging problems via tailored combinations of quantum-chemical, molecular dynamics, coarse-grained and continuum models.


M. Elstner, K. Fink, P. Gumbsch, F. Gräter, M. Hochbruck, S. Höfener, W. Klopper, M. Kozlowska, T. Kubar, L. Pastewka, A. Schug, A. Streit, F. Studt, W. Wenzel


July 12
Time (CET) Speaker Title
9:00 - 10:30
Session IV chaired by to be announced

9:00 - 9:35

Paolo Carloni (Forschungszentrum Jülich, Germany)

9:35 - 10:10

Ana-Suncana Smith (FAU, Germany)

10:10 - 10:30

Denis-Mario Maag (RTG 2450, KIT, Germany)

10:30 - 11:00


11:00 - 12:30
Session V chaired by to be announced

11:00 - 11:20

Tobias Richard Kliesch (RTG 2450, KIT, Germany)

11:20 - 11:55

Gerhard Stock (University Freiburg, Germany)

11:55 - 12:30

Rebecca Wade (Heidelberg Institute for Theoretical Studies, Germany)

12:30 - 14:00


14:00 - 16:05
Session VI chaired by to be announced

14:00 - 14:35

Alejandro A. Franco (Université de Picardie Jules Verne, France)

14:35 - 14:55

Julie Schweer (RTG 2450, KIT, Germany)

14:55 - 15:30

Nick Charron (presenting on behalf of Cecilia Clementi, Freie Universität Berlin, Germany)

15:30 - 16:05

Pascal Friederich (KIT, Germany)

16:05 - 16:15

Marcus Elstner (RTG 2450, KIT, Germany)


The workshop will be conducted in a hybrid format. Interested external people can attend the workshop online for free. Please register here. On-site participation is possible for RTG members and speakers only. The on-site location is at KIT Campus North, Institute of Nanotechnology, building 640, lecture hall on the 1st floor.

Click here for directions.

Campus North can be reached via public transport. A description can be found here. To see the schedule of the Karlsruhe Transport Authority, please consult their webpage.


Admission free. Registration for online participation is open!

Interested people can register for online participation via this form.