A comparison of generalized hybrid Monte Carlo methods with and without momentum flip

DOI10.1016/j.jcp.2008.12.014zbMath1161.65302MaRDI QIDQ1009981

Sebastian Reich, Elena Akhmatskaya, Nawaf Bou-Rabee

Publication date: 3 April 2009

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2008.12.014

zbMATH Keywords

sampling; numerical results; Monte Carlo methods; Markov chain; molecular dynamics; Langevin dynamics

Mathematics Subject Classification ID

60J22: Computational methods in Markov chains

65C05: Monte Carlo methods

65C40: Numerical analysis or methods applied to Markov chains

Related Items

Erratum to ``A comparison of generalized hybrid Monte Carlo methods with and without momentum flip

Uses Software

• GSHMC
• Gromacs

Cites Work

• Unnamed Item
• GSHMC: An efficient method for molecular simulation
• Exponential convergence of Langevin distributions and their discrete approximations
• Shadow hybrid Monte Carlo: an efficient propagator in phase space of macromolecules
• A Metropolis adjusted Nosé-Hoover thermostat
• Dynamical Spatial Warping: A Novel Method for the Conformational Sampling of Biophysical Structure
• The Targeted Shadowing Hybrid Monte Carlo (TSHMC) Method
• Cost of the generalised hybrid Monte Carlo algorithm for free field theory
• Monte Carlo strategies in scientific computing
• Handbook of stochastic methods for physics, chemistry and natural sciences.