Espresso summer school: Coupling of particle- and lattice-based approahces

[Rudolf Weeber]

Dear colleagues,

you are cordially invited to the CECAM Flagship School

Combining particle-based and continuum modelling in soft matter physics with 
ESPResSo, PyStencils, and LbmPy

October 11-15, 2021, Stuttgart, Germany either in presence and/or online

In this school, participants learn to conduct simulations in the fields of 
statistical physics, soft matter and active matter using the software ESPResSo. 
It is an open-source particle-based simulation package with a focus on 
coarse-grained molecular dynamics models. In addition, it offers a wide range 
of schemes for solving electrostatics, magnetostatics, hydrodynamics and 
electrokinetics, as well as algorithms for active matter, rigid bodies, and 
chemical reactions.
ESPResSo (https://espressomd.org) consists of an MPI-parallelized simulation 
core written in C++ and a scripting interface in Python. This allows for good 
interoperability with other science and visualization tools for Python. 
ESPResSo can join forces with waLBerla (walberla.net), a high performance code 
for lattice-Boltzmann hydrodynamics and other lattice-based schemes for 
electrokinetics and related fields.

After an introduction to particle-based simulations and the simulation codes, 
we will focus on combining particle- and field-based approaches in simulations 
of soft matter. We will explore topics such as electrophoretic mobility of 
colloids, diffusion of polymers, and describing ions on the continuum level via 
electrokinetic equations.
We will provide an introduction to PyStencils and LbmPy. These Python packages 
allow for the rapid prototyping of lattice-based algorithms, which can then be 
used together with waLBerla and ESPResSo. These packages are also used to 
generate the lattice-Boltzmann and electrokinetics kernels in ESPResSo.

Lectures will provide an introduction to the physics and simulation model 
building as well as an overview of the necessary simulation algorithms. During 
the afternoon, participants will practice running their own simulations in 
hands-on sessions. The teaching material will be provided electronically to the 
participants.
Many of the lectures and hands-on sessions will be taught by developers of the 
software. Hence, the school will also provide a platform for discussion between 
developers and users about the future of the software. Also, users can get 
advice on their specific simulation projects. In addition, time will be 
dedicated to research talks on projects that have been conducted using ESPResSo 
and waLBerla.

Due to the uncertainty related to the ongoing Covid-19 situation, it is unclear 
at this time whether the summer school will be held as a physical, virtual or 
hybrid event. We expect to make a decision in July.
Even if the school is held online, we will maintain its highly interactive 
nature, including Q&A sessions with the speakers, scientific discussions and 
tutoring by experienced ESPResSo users and developers. To offer the best 
tutoring, the number of participants is limited. An early application is 
therefore recommended.

To register, go to https://www.cecam.org/workshop-details/1070

Regards, Rudolf Weeber
-- 
Dr. Rudolf Weeber
Institute for Computational Physics
Universität Stuttgart
Allmandring 3
70569 Stuttgart
Germany
Phone: +49(0)711/685-67717
Email: weeber@icp.uni-stuttgart.de
http://www.icp.uni-stuttgart.de/~icp/Rudolf_Weeber