Adaptive resolution scheme (AdRedS)
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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)