Adaptive resolution scheme (AdRedS): Difference between revisions
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'''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 == | |||
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/10.1103/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/> | ||
[[category: molecular dynamics]] | |||
Revision as of 15:04, 27 August 2014
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Adaptive resolution scheme (AdRedS) [1]
Generalised grand canonical AdRedS
References
- ↑ 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)
- ↑ 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)
- ↑ 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)
- ↑ 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)