[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]
Espresso summer school: Coupling of particle- and lattice-based approahc
From: |
Rudolf Weeber |
Subject: |
Espresso summer school: Coupling of particle- and lattice-based approahces |
Date: |
Fri, 4 Jun 2021 10:31:27 +0200 |
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
[Prev in Thread] |
Current Thread |
[Next in Thread] |
- Espresso summer school: Coupling of particle- and lattice-based approahces,
Rudolf Weeber <=