A gentle stochastic thermostat for molecular dynamics
DOI10.1007/S10955-009-9734-0zbMATH Open1179.82065OpenAlexW2009808700MaRDI QIDQ2391046FDOQ2391046
Authors: Emad Noorizadeh, Benedict Leimkuhler, Florian Theil 
Publication date: 24 July 2009
Published in: Journal of Statistical Physics (Search for Journal in Brave)
Full work available at URL: https://www.pure.ed.ac.uk/ws/files/9922089/A_gentle_stochastic_thermostat_for_molecular_dynamics.pdf
Recommendations
- A thermostat for molecular dynamics of complex fluids
- Discretization errors in molecular dynamics simulations with deterministic and stochastic thermostats
- Stochastic theory of the classical molecular dynamics method
- A molecular dynamics method for simulation of a thermodynamic equilibrium
- Langevin thermostat for robust configurational and kinetic sampling
- On the rate of convergence to equilibrium of the Andersen thermostat in molecular dynamics
- The Andersen thermostat in molecular dynamics
- Noise perturbation of the thermostat in constant temperature molecular dynamics simulations
- Coarse-graining molecular dynamics: stochastic models with non-Gaussian force distributions
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)
Cites Work
- Exponential convergence of Langevin distributions and their discrete approximations
- Markov chains and stochastic stability
- Minorization Conditions and Convergence Rates for Markov Chain Monte Carlo
- Hypoelliptic estimates and spectral theory for Fokker-Planck operators and Witten Laplacians
- Ergodicity of the 2D Navier-Stokes equations with degenerate stochastic forcing
- Title not available (Why is that?)
- Proof of the Ergodic Theorem
- Title not available (Why is that?)
- Title not available (Why is that?)
- Stochastic variational integrators
- Title not available (Why is that?)
- Ergodicity for SDEs and approximations: locally Lipschitz vector fields and degenerate noise.
- Title not available (Why is that?)
- Molecular dynamics and the accuracy of numerically computed averages
- Title not available (Why is that?)
- Thermostats for ``slow configurational modes
- Title not available (Why is that?)
- Quasi-symplectic methods for Langevin-type equations
- Non-ergodicity of the Nosé-Hoover thermostatted harmonic oscillator
- Constant pressure Langevin dynamics: theory and application
- Title not available (Why is that?)
- On the rate of convergence of the Metropolis algorithm and Gibbs sampler by geometric bounds
Cited In (26)
- The Andersen thermostat in molecular dynamics
- Approximate Optimal Controls via Instanton Expansion for Low Temperature Free Energy Computation
- Comparing the efficiencies of stochastic isothermal molecular dynamics methods
- A Hamiltonian Formulation for Recursive Multiple Thermostats in a Common Timescale
- Cell-level canonical sampling by velocity scaling for multiparticle collision dynamics simulations
- A Metropolis adjusted Nosé-Hoover thermostat
- Title not available (Why is that?)
- Temperature–energy-space sampling molecular dynamics: deterministic and single-replica method utilizing continuous temperature system
- Adaptive thermostats for noisy gradient systems
- On ergodicity for multidimensional harmonic oscillator systems with Nosé-Hoover-type thermostat
- Langevin thermostat for robust configurational and kinetic sampling
- The phase transition in a bistable Duffing system driven by Lévy noise
- Partial differential equations and stochastic methods in molecular dynamics
- Non-equilibrium steady states for networks of oscillators
- Friction-adaptive descent: a family of dynamics-based optimization methods
- A patch that imparts unconditional stability to explicit integrators for Langevin-like equations
- The Nosé-Poincaré method for constant temperature molecular dynamics
- Noise perturbation of the thermostat in constant temperature molecular dynamics simulations
- A Projective Thermostatting Dynamics Technique
- Portable implementation of a quantum thermal bath for molecular dynamics simulations
- Long time behaviour and particle approximation of a generalised Vlasov dynamic
- Sampling algorithms in statistical physics: a guide for statistics and machine learning
- A Perturbative Approach to Control Variates in Molecular Dynamics
- Interacting Langevin Diffusions: Gradient Structure and Ensemble Kalman Sampler
- Pairwise adaptive thermostats for improved accuracy and stability in dissipative particle dynamics
- The Langevin limit of the Nosé-Hoover-Langevin thermostat
This page was built for publication: A gentle stochastic thermostat for molecular dynamics
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2391046)
