Model reduction in classical molecular dynamics

MaRDI QIDQ2989876zbMATH OpenFDO

Authors Carsten Hartmann

Publication date 8 June 2017

Full work available at URL http://d-nb.info/988103346/34, http://www.diss.fu-berlin.de/cgi-bin/zip.cgi/2007/458/Fub-diss2007458.zip

Mathematics Subject Classification ID

Dynamical systems in other branches of physics (quantum mechanics, general relativity, laser physics) (37N20)

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Cited in

(8)

• An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics
• Tonelli Principle: Finite Reduction and Fixed Energy Molecular Dynamics Trajectories
• Quantification of coarse-graining error in Langevin and overdamped Langevin dynamics
• Coarse-graining of overdamped Langevin dynamics via the Mori-Zwanzig formalism
• Coarse graining of nonreversible stochastic differential equations: quantitative results and connections to averaging
• Effective dynamics for non-reversible stochastic differential equations: a quantitative study
• scientific article; zbMATH DE number 5269086 (Why is no real title available?)
• Randomized time Riemannian manifold Hamiltonian Monte Carlo

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