Aufgrund der drastischen Reduktion der Freiheitsgrade erlaubt die Vergröberung von Modellen es, Systeme zu untersuchen, die für herkömmliche Molekulardynamiksimulationen mit atomarer Auflösung aufgrund der großen Längen- und Zeitskalen unerreichbar sind.
ESPResSo kann klassische Molekularsynamiksimulationen von vierlei Arten von Systemen in unterschiedlichen statistischen Ensembles (NVE, NVT, NPT) und Nichtgleichgewichtssituationen durchführen.
www.sfb716.uni-stuttgart.deDue to the drastic reduction of degrees of freedom, coarse-graining allows to investigate systems which would be out of reach of the commonly used atom-based simulations, due to the large time- and length scales of the studied processes.
ESPResSo is capable of doing classical Molecular dynamics simulations of many types of systems in different statistical ensembles (NVE, NVT, NPT) and non-equilibrium situations, using standard potentials such as the Lennard-Jones or Morse potential.
www.sfb716.uni-stuttgart.deYou can suggest improvements to this PONS entry here:
How can I copy translations to the vocabulary trainer?
Please note that the vocabulary items in this list are only available in this browser. Once you have copied them to the vocabulary trainer, they are available from everywhere.