Comment on two distinct notions of free energy

DOI10.1016/j.physd.2007.02.006zbMath1116.80019OpenAlexW2066133537MaRDI QIDQ882333

Christof Schütte, Carsten Hartmann

Publication date: 23 May 2007

Published in: Physica D (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.physd.2007.02.006

zbMATH Keywords

rare eventsthermodynamic integrationconditional expectationmolecular dynamicsconstrained Hamiltonian systemsfree energy calculationBlue Moon formulaFixman theoremforce of constraint

Mathematics Subject Classification ID

Dynamical systems in other branches of physics (quantum mechanics, general relativity, laser physics) (37N20) Thermodynamics and heat transfer (80A99) Applications of statistical mechanics to specific types of physical systems (82D99)

Related Items (2)

An ergodic sampling scheme for constrained Hamiltonian systems with applications to molecular dynamics ⋮ Langevin dynamics with constraints and computation of free energy differences

Cites Work

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• A geometric approach to constrained molecular dynamics and free energy
• Optimal prediction and the Mori–Zwanzig representation of irreversible processes
• A complete perturbative expansion for quantum mechanics with constraints
• A constrained hybrid Monte‐Carlo algorithm and the problem of calculating the free energy in several variables
• Statistical Mechanics of Fluid Mixtures

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