The Targeted Shadowing Hybrid Monte Carlo (TSHMC) Method

DOI10.1007/3-540-31618-3_9MaRDI QIDQ5484140zbMATH OpenOpenAlexFDO

Authors Elena Akhmatskaya, Sebastian Reich

Publication date 24 August 2006

Published in New Algorithms for Macromolecular Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/3-540-31618-3_9

Mathematics Subject Classification ID

Molecular physics (81V55)

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(7)

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• Multi-stage splitting integrators for sampling with modified Hamiltonian Monte Carlo methods
• Modified Hamiltonian Monte Carlo for Bayesian inference
• Multiple-time-stepping generalized hybrid Monte Carlo methods
• GSHMC: An efficient method for molecular simulation
• A comparison of generalized hybrid Monte Carlo methods with and without momentum flip
• Thread-parallel anisotropic mesh adaptation

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