Editing Adaptive resolution scheme (AdRedS)
Jump to navigation
Jump to search
The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.
| Latest revision | Your text | ||
| Line 2: | Line 2: | ||
'''Adaptive resolution scheme''' (AdRedS) | '''Adaptive resolution scheme''' (AdRedS) | ||
<ref>[http://dx.doi.org/10.1063/1.2132286 Matej Praprotnik, Luigi Delle Site and Kurt Kremer "Adaptive resolution molecular-dynamics simulation: Changing the degrees of freedom on the fly", Journal of Chemical Physics '''123''' 224106 (2005)]</ref> | <ref>[http://dx.doi.org/10.1063/1.2132286 Matej Praprotnik, Luigi Delle Site and Kurt Kremer "Adaptive resolution molecular-dynamics simulation: Changing the degrees of freedom on the fly", Journal of Chemical Physics '''123''' 224106 (2005)]</ref> | ||
== Generalised grand canonical AdRedS | == Generalised grand canonical AdRedS == | ||
<ref>[http://dx.doi.org/10.1103/PhysRevLett.108.170602 S. Fritsch, S. Poblete, C. Junghans, G. Ciccotti, L. Delle Site, and K. Kremer "Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir", Physical Review Letters '''108''' 170602 (2012)]</ref> | GC-AdRedS <ref>[http://dx.doi.org/10.1103/PhysRevLett.108.170602 S. Fritsch, S. Poblete, C. Junghans, G. Ciccotti, L. Delle Site, and K. Kremer "Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir", Physical Review Letters '''108''' 170602 (2012)]</ref> | ||
<ref>[http://dx.doi.org/10.1021/ct3003354 Han Wang , Christof Schütte , and Luigi Delle Site "Adaptive Resolution Simulation (AdResS): A Smooth Thermodynamic and Structural Transition from Atomistic to Coarse Grained Resolution and Vice Versa in a Grand Canonical Fashion", Journal of Chemical Theory and Computation '''8''' pp. 2878-2887 (2012)]</ref> | <ref>[http://dx.doi.org/10.1021/ct3003354 Han Wang , Christof Schütte , and Luigi Delle Site "Adaptive Resolution Simulation (AdResS): A Smooth Thermodynamic and Structural Transition from Atomistic to Coarse Grained Resolution and Vice Versa in a Grand Canonical Fashion", Journal of Chemical Theory and Computation '''8''' pp. 2878-2887 (2012)]</ref> | ||
<ref>[http://dx.doi.org/10.1103/PhysRevX.3.011018 Han Wang, Carsten Hartmann, Christof Schütte, and Luigi Delle Site "Grand-Canonical-like Molecular-Dynamics Simulations by Using an Adaptive-Resolution Technique", Physical Review X '''3''' 011018 (2013)]</ref> | <ref>[http://dx.doi.org/10.1103/PhysRevX.3.011018 Han Wang, Carsten Hartmann, Christof Schütte, and Luigi Delle Site "Grand-Canonical-like Molecular-Dynamics Simulations by Using an Adaptive-Resolution Technique", Physical Review X '''3''' 011018 (2013)]</ref> | ||
==References== | ==References== | ||
<references/> | <references/> | ||
;Related reading | |||
*[http://dx.doi.org/10.1063/1.4907006 P. Español, R. Delgado-Buscalioni, R. Everaers, R. Potestio, D. Donadio and K. Kremer "Statistical mechanics of Hamiltonian adaptive resolution simulations", Journal of Chemical Physics '''142''' 064115 (2015)] | |||
[[category: molecular dynamics]] | [[category: molecular dynamics]] | ||