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Multiscale Simulation Methods in Soft Matter Systems II

October 4, 2016 to October 6, 2016
Location : CECAM-DE-SMSM, University of Darmstadt, Germany => Maschinenhaus, Magdalenenstraße 12, 64289 Darmstadt

Organisers

  • Friederike Schmid (Johannes Gutenberg University, Mainz, Institute of Physics, Germany)
  • Nico van der Vegt (Technische Universität Darmstadt, Germany)
  • Kurt Kremer (Max Planck Institut for Polymer Research, Mainz, Germany)
  • Maria Lukacova (Johannes Gutenberg University, Mainz, Institute of Mathematics, Germany)

Supports

   CECAM

   DFG

   CRC-TRR146

Description

Multiscale modeling is an important topic in (soft) materials science as well
as in applied mathematics and engineering. Many of the methods implemented today have been developed independently in the applied mathematics
community and the soft matter community. This workshop will be the second in a
biannial series of workshops which bring together these communities in order to
exchange ideas and develop a joint roadmap. The previous workshop took place as
a CECAM workshop in October 2014 in Mainz, and we have taken care that the present
list of invited speakers has no overlap with the previous list of speakers.
The proposed workshop will focus on the following issues:

+ Fundamental issues related to coarse-graining, such as:
- Selected examples of successful coarse-grained models
(Why and in which sense are they successful?)
- Generic strategies for coarse-graining
- The role of multibody potentials
- Coarse-graining strategies in the presence of uncertainties
- The mathematical analysis of coarse-grained models

+ Coarse-graining of dynamical properties
- Mapping of dynamical properties
- Sampling of rare events
- Accelerated molecular dynamics
- Markov Models
- Coarse-graining of nonequilibrium and active system

+ Perspectives for multiresolution schemes
- Heterogeneous multiscale modelling
- Mixed Fine-Grained/Coarse-Grained Schemes
- Multiresolution in the time domain

References

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to kinetic models for dilute polymers II: Hookean-type models,
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E. Brini, N.F.A. van der Vegt. Chemically transferable coarse-grained potentials
from conditional reversible work calculations,
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W. E, B. Enquist. The heterogeneous multiscale methods,
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