swMATH ID: 6336
Software Authors: Junghans, Christoph; Poblete, Simón
Description: We review the adaptive resolution scheme (AdResS) from a technical perspective and collect arguments from several years of research, which culminates into the implementation of AdResS into the open-source package ESPResSo. This flexible implementation allows us to repeat all previous AdResS simulations with one program. We test this reference implementation and resimulate some results of the well-studied tetrahedral fluid from various previous studies to show the functionality of the package
Homepage: http://www.sfb716.uni-stuttgart.de/en/research/software/espresso.html
Dependencies: ESPResSo
Related Software: MUI; CP2K; ESPResSo; AMBER; NAMD; VMD; Gromacs; PyTorch; Python; MPQC; ONETEP; RODAS; ESPResSo++; LAMMPS; ODEPACK++; Uintah; SCIRun2; MUPHY; CCA; LSODE
Referenced in: 21 Publications
Further Publications: http://www.sfb716.uni-stuttgart.de/en/publications.html

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