A Projective Thermostatting Dynamics Technique
adiabatic separationcanonical samplingconstant temperature molecular dynamicsHamiltonian systemsmultiple timescale simulationnonequilibrium dynamicsNosé-HooverNosé-Poincaréreversible averagingslow dynamicssymplectic integratorthermostattime reversible
Discretization methods and integrators (symplectic, variational, geometric, etc.) for dynamical systems (37M15) Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Computational methods for problems pertaining to mechanics of particles and systems (70-08) Hamilton's equations (70H05) Statistical thermodynamics (82B30)
- Molecular Simulation in the Canonical Ensemble and Beyond
- A gentle stochastic thermostat for molecular dynamics
- Comparing the efficiencies of stochastic isothermal molecular dynamics methods
- Thermostats for ``slow configurational modes
- A Hamiltonian Formulation for Recursive Multiple Thermostats in a Common Timescale
- Second-order fast-slow dynamics of non-ergodic Hamiltonian systems: thermodynamic interpretation and simulation
- Application of the G-JF discrete-time thermostat for fast and accurate molecular simulations
- Double density dynamics: realizing a joint distribution of a physical system and a parameter system
- The Andersen thermostat in molecular dynamics
- Molecular Simulation in the Canonical Ensemble and Beyond
- Friction-adaptive descent: a family of dynamics-based optimization methods
- A generalized Hamiltonian-based algorithm for rigorous equilibrium molecular dynamics simulation in the canonical ensemble
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