Organisers

• Ignacio Pagonabarraga (Departament de Fisica Fonamental, Universitat de Barcelona)
• Christopher Lowe (Univeristy of Amsterdam)

Supports

 CECAM

 Marie Curie - MolSimu

Description

Many processes of practical and scientific interest involve
dynamics on mesoscopic length and time scales.
Microphase formation and polymer dynamics for example.
It is impractical to study such systems
using fully atomistic models. Some coarse graining
is required. The relevant properties of the true molecular
system are preserved while detailed atomistic (or even
molecular) level information is discarded.
This coarse grained system then has to be modelled using
a simulation method that gives correct dynamical behaviour
and fluctuations. Fluctuations still play a key
role on the mesoscopic scale. In recent years
there have been notable advances in developing techniques
that acheive this. This workshop will familiarize you with
a group of these techniques that have proved particularly
successful.
Specifically, lattice Boltzmann
techniques and stochastic particle based methods.
The latter will include dissipative particle dynamics,
stochastic rotational dynamics and Lowe-Andersen thermostating.

We will address the technical details of these methods,
their strengths and weaknesses relative to eachother, latest
developments and
how you can apply them to actually simulate a realistic system.

The format of the course is lectures in the morning and hands-on computer exercises in the afternoon. In addition, Guest lecturers will also let you see what these methods
have achieved in their research.

Support for participation (travel and lodging!) is available via the Marie Curie Action “MolSimu”.