ESPResSo

ESPResSo is a highly versatile software package for performing and analyzing scientific Molecular Dynamics many-particle simulations of ”coarse-grained” bead-spring models as they are used in soft-matter research in physics, chemistry and molecular biology. It can be used to simulate systems such as polymers, liquid crystals, colloids, ferrofluids and biological systems, for example DNA and lipid membranes http://espressomd.org/


References in zbMATH (referenced in 17 articles )

Showing results 1 to 17 of 17.
Sorted by year (citations)

  1. Graessel, Katharina; Bächer, Christian; Gekle, Stephan: Rayleigh-Plateau instability of anisotropic interfaces. I: An analytical and numerical study of fluid interfaces (2021)
  2. Paret, Joris; Coslovich, Daniele: partycls: A Python package for structural clustering (2021) not zbMATH
  3. Weeber, Rudolf; Nestler, Franziska; Weik, Florian; Pippig, Michael; Potts, Daniel; Holm, Christian: Accelerating the calculation of dipolar interactions in particle based simulations with open boundary conditions by means of the P(^2)NFFT method (2019)
  4. Horacio V. Guzman, Nikita Tretyakov, Hideki Kobayashi, Aoife C. Fogarty, Karsten Kreis, Jakub Krajniak, Christoph Junghans, Kurt Kremer, Torsten Stuehn: ESPResSo++ 2.0: Advanced methods for multiscale molecular simulation (2018) arXiv
  5. Delle Site, Luigi; Praprotnik, Matej: Molecular systems with open boundaries: theory and simulation (2017)
  6. Bordin, José Rafael: Waterlike features, liquid-crystal phase and self-assembly in Janus dumbbells (2016)
  7. Guckenberger, Achim; Schraml, Marcel P.; Chen, Paul G.; Leonetti, Marc; Gekle, Stephan: On the bending algorithms for soft objects in flows (2016)
  8. Hoseinpoor, S. Mohammad; Nikoofard, Narges; Zahedifar, Mostafa: Accuracy limits of the blob model for a flexible polymer confined inside a cylindrical nano-channel (2016)
  9. Cimrák, I.; Gusenbauer, M.; Jančigová, I.: An (\mathsfESPResSo)  implementation of elastic objects immersed in a fluid (2014)
  10. Arnold, Axel; Breitsprecher, Konrad; Fahrenberger, Florian; Kesselheim, Stefan; Lenz, Olaf; Holm, Christian: Efficient algorithms for electrostatic interactions including dielectric contrasts (2013)
  11. Arnold, Axel; Lenz, Olaf; Kesselheim, Stefan; Weeber, Rudolf; Fahrenberger, Florian; Roehm, Dominic; Košovan, Peter; Holm, Christian: ESPResSO 3.1: molecular dynamics software for coarse-grained models (2013)
  12. Jesudason, C. G.; Agung, A. A. J.: Reflections on the conformation, topology and thermodynamics of a polyelectrolyte chain in the presence of counterions with plausible applications (2013)
  13. Pippig, Michael; Potts, Daniel: Parallel three-dimensional nonequispaced fast Fourier transforms and their application to particle simulation (2013)
  14. Cimrák, Ivan; Gusenbauer, M.; Schrefl, T.: Modelling and simulation of processes in microfluidic devices for biomedical applications (2012)
  15. Junghans, Christoph; Poblete, Simón: A reference implementation of the adaptive resolution scheme in \textttESPResSo (2010)
  16. Anderson, Joshua A.; Lorenz, Chris D.; Travesset, A.: General purpose molecular dynamics simulations fully implemented on graphics processing units (2008)
  17. Patra, Michael; Hyvönen, Marja T.; Falck, Emma; Sabouri-Ghomi, Mohsen; Vattulainen, Ilpo; Karttunen, Mikko: Long-range interactions and parallel scalability in molecular simulations (2007) ioport


Further publications can be found at: http://espressomd.org/wordpress/about/publications/