Multiscale modeling in materials science, chemistry, and biology: How to meet, greet, and beat scale-bridging challenges

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.

Organizers

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

Program

Talks and Poster Session.
November 22
Time (CET) Speaker Title
9:00 - 9:10

RTG 2450 (KIT, Germany)

9:10 - 10:20
Session I chaired by Mariana Kozlowska

9:10 - 9:45

Peter Bobbert (Eindhoven University of Technology, Netherlands)

9:45 - 10:20

Sereina Riniker (ETH Zürich, Switzerland)

10:20 - 11:00

-

11:00 - 12:30
Session II chaired by Wolfgang Wenzel

11:00 - 11:35

David Beljonne (Universite de Mons, Belgium)

11:35 - 12:10

Feng Ding (IBS Center for Multidimensional Carbon Materials, Korea)

12:10 - 12:30

Patrick Reiser (KIT, Germany)

12:30 - 14:00

-

14:00 - 15:30
Session III chaired by Alexander Schug

14:00 - 14:35

Cristiana Di Valentin (University of Milano Bicocca, Italy)

14:35 - 14:55

Vivek Sinha (Delft University of Technology, Netherlands)

14:55 - 15:30

Geoffroy Hautier (School of Engineering, Dartmouth College, US)

15:30 - 16:10

various

16:10 - 16:30

-

16:30 - 18:00

various

November 23
Time (CET) Speaker Title
9:00 - 10:30
Session IV chaired by Lars Pastewka

9:00 - 9:35

Roland Netz (FU Berlin, Germany)

9:35 - 10:10

James Ewen (Imperial College London, UK)

10:10 - 10:30

Hannes Holey (RTG 2450, KIT, Germany)

10:30 - 10:55

-

10:55 - 12:10
Session V chaired by Marlis Hochbruck

10:55 - 11:15

Jakub Rydzewski (Institute of Physics, Nicolaus Copernicus University, Poland)

11:15 - 11:35

Jonas Amsler (RTG 2450, KIT, Germany)

11:35 - 12:10

Christof Schütte (FU Berlin, Germany)

12:10 - 13:30

-

13:30 - 15:00
Session VI chaired by Frauke Gräter

13:30 - 14:05

Andela Saric (UCL, UK)

14:05 - 14:25

Fathia Idiris (RTG 2450, KIT, Germany)

14:25 - 15:00

Ville Kaila (Stockholm University, Sweden)

15:00 - 15:20

-

15:20 - 16:15
Session VII chaired by Karin Fink

15:20 - 15:40

Luca Donati (Freie Universität Berlin, Germany)

15:40 - 16:15

Qiang Cui (Boston University, US)

16:15 - 16:30

Marcus Elstner (RTG 2450, KIT, Germany)

Participation

Admission free. Abstract Submission until October 24, 2021. Registration until November 10, 2021.

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