ESPResSo, a Versatile Open-Source Software Package for Simulating Soft Matter Systems
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F24%3A10489970" target="_blank" >RIV/00216208:11310/24:10489970 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1016/B978-0-12-821978-2.00103-3" target="_blank" >https://doi.org/10.1016/B978-0-12-821978-2.00103-3</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/B978-0-12-821978-2.00103-3" target="_blank" >10.1016/B978-0-12-821978-2.00103-3</a>
Alternative languages
Result language
angličtina
Original language name
ESPResSo, a Versatile Open-Source Software Package for Simulating Soft Matter Systems
Original language description
Particle-based coarse-grained simulations bridge the scales between models with atomistic details and a continuum description. They are typically applied to systems ranging from the nanometer scale to the micron scale. Examples for these systems are polymers, colloids or biological cells. In this chapter we will first provide an overview of simulation techniques suitable for coarse-grained models, in particular molecular dynamics and Monte Carlo schemes. Afterwards the simulation package ESPResSo is shortly described, together with simulation models from different fields that illustrate its new capabilities. In particular, we highlight simulations of weak polyelectrolytes, hydrogels, soft magnetic materials and chemical reactions subject to a flow field.
Czech name
—
Czech description
—
Classification
Type
C - Chapter in a specialist book
CEP classification
—
OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
<a href="/en/project/GC21-31978J" target="_blank" >GC21-31978J: Simulations of reaction equilibria in polymer systems - method development and applications</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2024
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Book/collection name
Comprehensive Computational Chemistry, First Edition: Volume 1-4
ISBN
978-0-12-821978-2
Number of pages of the result
24
Pages from-to
"V3.578"-601
Number of pages of the book
3163
Publisher name
Elsevier
Place of publication
Amsterdam
UT code for WoS chapter
—