Active, Charged, and Magnetic Soft Matter Simulations with ESPResSo
Location : CECAM-DE-SMSM
October 7, 2019 – October 11, 2019
In this school, students learn to conduct simulations in the fields of statistical physics as well as soft and active matter using the software ESPResSo (espressomd.org). 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 and magnetostatics, hydrodynamics, electrokinetics, as well a algorithms for active matter, rigid bodies, and chemical reactions.
ESPResSo consists of an MPI-parallelized simulation core written in C/C++ and a scripting interface in Python. This allows for good interoperability with other science and visualization tools for Python.
In this school, after an introduction to particle based simulations and the simulation software, a wide range of topics will be covered. These include colloids, polymers, magnetic fluids, and active matter. Lectures will provide an introduction to the physics and simulation model building as well as an overview of the necessary simulation algorithms such as electrostatics and hydrodynamics solvers. During the afternoon, students will practice running their own simulations in hands-on sessions.
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.
The final day of the school will be dedicated to research talks on projects that have been conducted using ESPResSo.
- Particle based simulations
* Molecular dynamics
* Monte Carlo
* Basic simulations in ESPResSo and Python
* Long range interactions, electrostatics, magnetostatics, P3M algorithm
* Hydrodynamic interactions, Lattice-Boltzmann method
* Rigid body mechanics, virtual sites
* Magnetic fluids
* Active matter
For recent news on the simulation package ESPResso, see the Publication on Espresso 4.0.