A Micro-Macro Markov Chain Monte Carlo Method for Molecular Dynamics using Reaction Coordinate Proposals
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Publication:5889341
DOI10.1137/20M1322443MaRDI QIDQ5889341
Giovanni Samaey, Hannes Vandecasteele
Publication date: 20 April 2023
Published in: SIAM Journal on Scientific Computing (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/2002.09324
Computational methods in Markov chains (60J22) Monte Carlo methods (65C05) Numerical analysis or methods applied to Markov chains (65C40) Stochastic particle methods (65C35)
Cites Work
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- Multilevel coarse graining and nano-pattern discovery in many particle stochastic systems
- General state space Markov chains and MCMC algorithms
- Exponential convergence of Langevin distributions and their discrete approximations
- Fast Langevin based algorithm for MCMC in high dimensions
- Molecular dynamics. With deterministic and stochastic numerical methods
- Accelerated convergence to equilibrium and reduced asymptotic variance for Langevin dynamics using Stratonovich perturbations
- Spatial Two-Level Interacting Particle Simulations and Information Theory--Based Error Quantification
- A mathematical formalization of the parallel replica dynamics
- Coupled Coarse Graining and Markov Chain Monte Carlo for Lattice Systems
- Computational Multiscale Modeling of Fluids and Solids
- Adaptive Multilevel Splitting for Rare Event Analysis
- Effective dynamics using conditional expectations
- Equation of State Calculations by Fast Computing Machines
- Multilevel Markov Chain Monte Carlo
- From molecular dynamics to Brownian dynamics
- Multiscale Methods
- Preconditioning Markov Chain Monte Carlo Simulations Using Coarse-Scale Models
- Monte Carlo sampling methods using Markov chains and their applications
- Partial differential equations and stochastic methods in molecular dynamics
- MCMC methods for functions: modifying old algorithms to make them faster
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