Adaptive resolution scheme (AdRedS)

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Adaptive resolution scheme (AdRedS) [1]

Generalised grand canonical AdRedS (GC-AdRedS)[edit]

[2] [3] [4]

Hamiltonian Adaptive Resolution Scheme (H-AdResS)[edit]

[5] [6] [7]

References[edit]

  1. 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)
  2. 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)
  3. 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)
  4. 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)
  5. Raffaello Potestio, Sebastian Fritsch, Pep Español, Rafael Delgado-Buscalioni, Kurt Kremer, Ralf Everaers, and Davide Donadio "Hamiltonian Adaptive Resolution Simulation for Molecular Liquids", Physical Review Letters 110 108301 (2013)
  6. Raffaello Potestio, Pep Español, Rafael Delgado-Buscalioni, Ralf Everaers, Kurt Kremer, and Davide Donadio "Monte Carlo Adaptive Resolution Simulation of Multicomponent Molecular Liquids", Physical Review Letters 111 060601 (2013)
  7. 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)