Difference between revisions of "ESPResSo"

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[[Image:Espresso-logo.png|thumbnail|upright|right|The logo of {{ES}} has been produced using {{ES}} itself.]]
[[Image:Espresso-cup.jpg|thumbnail|right|The logo of {{ES}} has been produced using {{ES}} itself.]]
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[[Image::Espresso-logo.png| ]]
'''{{ES}}''' is a software package for simulations of soft-matter systems, which is co-developed and used in the working group for most of its research.
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<onlyinclude>'''{{ES}}''' is a free, open-source software package for simulations of soft-matter systems, which is co-developed and used in the working group for most of its research.</onlyinclude>
  
{{ES}} is capable of doing classical [[w:Molecular dynamics|Molecular dynamics]] simulations of many types of systems in different [[w:statistical ensemble|statistical ensembles]] (NVE, NVT, NPT). It contains many advanced simulation algorithms (Lattice-Boltzmann).
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{{ES}} is capable of doing classical [[w:Molecular dynamics|Molecular dynamics]] simulations of many types of systems in different [[w:statistical ensemble|statistical ensembles]] (NVE, NVT, NPT). It contains many advanced simulation algorithms like Lattice-Boltzmann, electrostatics, electrokinetics, dipolar interactions, electrophoresis, catalytic reactions and many more.
{{ES}} is controlled via [[w:Tcl|Tcl]] scripts, which gives it a great flexibility.
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{{ES}} is controlled via [[w:Python (programming language)|Python]] scripts, which gives it a great flexibility.
  
Besides doing the regular [[Research|research on different physical systems]], the working group is constantly trying to improve and extend the {{ES}} software.
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Besides doing the regular [[Research|research on different physical systems]], the working group is constantly trying to improve and extend the {{ES}} software. The developement follows continuous integration practice and is active on [https://github.com/espressomd/espresso github].
  
== Download ==
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'''For more details on the software, visit the [http://espressomd.org ESPResSo Homepage]!'''
 
 
To download the latest CVS tarball, please visit [http://espressowiki.mpip-mainz.mpg.de/wiki/index.php/Download the MPI-P ESPResSo website].
 
 
 
== Tutorial ==
 
 
 
There will be a CECAM tutorial on simulating soft matter with ESPResSo on October 11-15, 2010, here at the ICP. For more details, see [http://www.cecam.org/workshop-1-489.html the CECAM webpage].
 
  
 
== Coworkers ==
 
== Coworkers ==
 
* [[Christian Holm]]: Project coordination
 
* [[Christian Holm]]: Project coordination
* [[Axel Arnold]]: Core development
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* [[Florian Weik]], [[Rudolf Weeber]]: Code maintenance
* [[Olaf Lenz]]: Core development
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* [https://github.com/espressomd/espresso/graphs/contributors Contributors on github]
* various coworkers: different contributions
 
  
 
== Collaborators ==
 
== Collaborators ==
* {{MPIP}}: {{ES}} has been originally developed in [[Christian Holm]]'s group at the MPI-P, where it is hosted and where it is also developed.
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* {{MPIP}}: {{ES}} has been originally developed in [[Christian Holm]]'s group at the MPI-P.
 
* Hanjo Limbach (original developer) at Nestlé research, Lausanne, Switzerland
 
* Hanjo Limbach (original developer) at Nestlé research, Lausanne, Switzerland
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== Workshops and Tutorials ==
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* CECAM Workshop "Simulating Soft Matter with ESPResSo, ESPResSo++ and VOTCA", 9-13 Oct 2017
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* SFB School "Particle-based Simulations for Hard and Soft Matter", 10-14 Oct 2016
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* CECAM Workshop "Simulating Soft and Active Matter with ESPResSo, ESPResSo++, and VOTCA", 5-9 Oct 2015
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* CECAM Workshop "Particle-based Simulations for Hard and Soft Matter", 10-14 Oct 2014
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* SimTech-CECAM-Tutorial "Simulating Soft Matter with ESPResSo, ESPResSo++ and VOTCA", 8-12 Oct 2012
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* SimTech-CECAM-Tutorial [http://www.cecam.org/workshop-532.html "Coarse-grained Simulation of Biological Soft Matter Systems using ESPResSo"], 10-14 Oct 2011 at ICP
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* CECAM-Tutorial [http://www.cecam.org/workshop-489.html "Simulating Soft Matter with ESPResSo"], 11-15 Oct 2010 at ICP
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* [[1. ESPResSo-Workshop (2006)|1. ESPResSo-Workshop]], July 14th, 2006 at the {{FIAS}}, Frankfurt
  
 
== Publications ==
 
== Publications ==
 
<bibentry>
 
<bibentry>
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arnold13a,
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roehm12a,
 
limbach06a,
 
limbach06a,
 
arnold06a,
 
arnold06a,
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billing03a
 
billing03a
 
</bibentry>
 
</bibentry>
 
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[[Category:Research]]
== Links ==
 
* http://www.espresso.mpg.de/ - Official {{ES}} web site
 

Latest revision as of 11:24, 17 October 2017

The logo of ESPResSo has been produced using ESPResSo itself.

ESPResSo is a free, open-source software package for simulations of soft-matter systems, which is co-developed and used in the working group for most of its research.

ESPResSo is capable of doing classical Molecular dynamics simulations of many types of systems in different statistical ensembles (NVE, NVT, NPT). It contains many advanced simulation algorithms like Lattice-Boltzmann, electrostatics, electrokinetics, dipolar interactions, electrophoresis, catalytic reactions and many more. ESPResSo is controlled via Python scripts, which gives it a great flexibility.

Besides doing the regular research on different physical systems, the working group is constantly trying to improve and extend the ESPResSo software. The developement follows continuous integration practice and is active on github.

For more details on the software, visit the ESPResSo Homepage!

Coworkers

Collaborators

Workshops and Tutorials

  • CECAM Workshop "Simulating Soft Matter with ESPResSo, ESPResSo++ and VOTCA", 9-13 Oct 2017
  • SFB School "Particle-based Simulations for Hard and Soft Matter", 10-14 Oct 2016
  • CECAM Workshop "Simulating Soft and Active Matter with ESPResSo, ESPResSo++, and VOTCA", 5-9 Oct 2015
  • CECAM Workshop "Particle-based Simulations for Hard and Soft Matter", 10-14 Oct 2014
  • SimTech-CECAM-Tutorial "Simulating Soft Matter with ESPResSo, ESPResSo++ and VOTCA", 8-12 Oct 2012
  • SimTech-CECAM-Tutorial "Coarse-grained Simulation of Biological Soft Matter Systems using ESPResSo", 10-14 Oct 2011 at ICP
  • CECAM-Tutorial "Simulating Soft Matter with ESPResSo", 11-15 Oct 2010 at ICP
  • 1. ESPResSo-Workshop, July 14th, 2006 at the FIAS, Frankfurt

Publications