The Nosé-Poincaré Method for Constant Temperature Molecular Dynamics

Keywords

Hamiltonian (control theory), Discretization, Symplectic geometry, Canonical ensemble, Canonical transformation

References

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Cited by

• Grains, Glasses and JammingOlivier Dauchot — 2011
• Explicit symplectic integrators of molecular dynamics algorithms for rigid-body molecules in the canonical, isobaric-isothermal, and related ensembles.Чипига Александр Федорович — 2007
• Unique Ligand Selectivity of the GPR92/LPA5 Lysophosphatidate Receptor Indicates Role in Human Platelet Activation*H. Wayne Leimer, R.D. Matthews — 2009
• On the determination of phase boundaries via thermodynamic integration across coexistence regions.Παναγιώτης Πατρικάκος — 2015
• Theoretical Methods of Domain Structures in Ultrathin Ferroelectric Films: A Review肖秋菊 — 2014
• Molecular Dynamics Studies of Interactions of Phospholipid Membranes with Dehydroergosterol and Penetrating PeptidesPourmousa Abkenar, A. Mohsen — 2011
• Molecular modelling and simulation of retroviral proteins and nanobiocompositesSergey Shityakov — 2011
• Force Evaluation, Integrators, and Propagators 1Robert D. Skeel — 2003
• Fast Polarizable Force Field Computation in Biomolecular SimulationsRobert D. Skeel, Wei Wang — 2005
• Classical-quantum correspondence in a model for conformational dynamics: Connecting phase space reactive islands with rare events samplingSarbani Patra, Srihari Keshavamurthy — 2015
• Dynamics and Structure close to the Glass and Jamming transitions ; Experiments and SimulationsRaphaël Candelier, DAUCHOT, Olivier — 2009
• Highly degenerate diffusions for sampling molecular systemsEmad Noorizadeh — 2010
• Modeling Materials: Continuum, Atomistic and Multiscale TechniquesEllad B. Tadmor, Ronald E. Miller — 2011
• Modelling shocks using molecular dynamicsN. Park — 2011
• Hydrogen and Helium at Conditions of Giant Planet InteriorsA. Martins — 2015
• Continuous finite element methods of molecular dynamics simulationsQiong Tang, Luohua Liu, Yujun Zheng — 2015
• Improved Sampling of Configuration Space of Biomolecules Using Shadow Hybrid Monte CarloScott Hampton — 2004
• Enhanced sampling algorithms.Ayori Mitsutake, Y. Mori, Yuko Okamoto — 2010
• Linking Microscopic Reversibility to Macroscopic Irreversibility, Emphasizing the Role of Deterministic Thermostats and Simple Examples, At and Away From EquilibriumWilliam G. Hoover, Carol G. Hoover — 2012
• A thermostat closure for point vorticesSvetlana Dubinkina, Jason R. Frank, Ben Leimkuhler — 2009

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