A gentle stochastic thermostat for molecular dynamics
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Publication:2391046
ergodicityhypoellipticityautocorrelation functionmolecular dynamicstemperature controlNosé-Hoover thermostat
Brownian motion (60J65) Molecular physics (81V55) Statistical thermodynamics (82B30) Stochastic methods (Fokker-Planck, Langevin, etc.) applied to problems in time-dependent statistical mechanics (82C31) Dynamic continuum models (systems of particles, etc.) in time-dependent statistical mechanics (82C21)
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- Coarse-graining molecular dynamics: stochastic models with non-Gaussian force distributions
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- Molecular dynamics and the accuracy of numerically computed averages
- Non-ergodicity of the Nosé-Hoover thermostatted harmonic oscillator
- On the rate of convergence of the Metropolis algorithm and Gibbs sampler by geometric bounds
- Proof of the Ergodic Theorem
- Quasi-symplectic methods for Langevin-type equations
- Stochastic variational integrators
- Thermostats for ``slow configurational modes
Cited in
(28)- Portable implementation of a quantum thermal bath for molecular dynamics simulations
- Partial differential equations and stochastic methods in molecular dynamics
- Langevin thermostat for robust configurational and kinetic sampling
- Non-equilibrium steady states for networks of oscillators
- The Andersen thermostat in molecular dynamics
- Approximate Optimal Controls via Instanton Expansion for Low Temperature Free Energy Computation
- A Perturbative Approach to Control Variates in Molecular Dynamics
- A Metropolis adjusted Nosé-Hoover thermostat
- The phase transition in a bistable Duffing system driven by Lévy noise
- Friction-adaptive descent: a family of dynamics-based optimization methods
- Temperature–energy-space sampling molecular dynamics: deterministic and single-replica method utilizing continuous temperature system
- A Hamiltonian Formulation for Recursive Multiple Thermostats in a Common Timescale
- scientific article; zbMATH DE number 5049189 (Why is no real title available?)
- Interacting Langevin diffusions: gradient structure and ensemble Kalman sampler
- Sampling algorithms in statistical physics: a guide for statistics and machine learning
- Adaptive thermostats for noisy gradient systems
- A patch that imparts unconditional stability to explicit integrators for Langevin-like equations
- A Projective Thermostatting Dynamics Technique
- Long time behaviour and particle approximation of a generalised Vlasov dynamic
- Exponential relaxation of the Nosé-Hoover thermostat under Brownian heating
- Pairwise adaptive thermostats for improved accuracy and stability in dissipative particle dynamics
- Cell-level canonical sampling by velocity scaling for multiparticle collision dynamics simulations
- On ergodicity for multidimensional harmonic oscillator systems with Nosé-Hoover-type thermostat
- Application of the G-JF discrete-time thermostat for fast and accurate molecular simulations
- Comparing the efficiencies of stochastic isothermal molecular dynamics methods
- The Langevin limit of the Nosé-Hoover-Langevin thermostat
- Noise perturbation of the thermostat in constant temperature molecular dynamics simulations
- The Nosé-Poincaré method for constant temperature molecular dynamics
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