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)
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