Liouville-type equations for the n-particle distribution functions of an open system

DOI10.1063/5.0008262zbMath1454.82028arXiv1907.07557OpenAlexW3100578870MaRDI QIDQ5141017

Luigi Delle Site, Rupert Klein

Publication date: 17 December 2020

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

Full work available at URL: https://arxiv.org/abs/1907.07557

zbMATH Keywords

Liouville-type equationsmolecular simulationsopen system

Mathematics Subject Classification ID

Molecular physics (81V55) Interface problems; diffusion-limited aggregation in time-dependent statistical mechanics (82C24) Open systems, reduced dynamics, master equations, decoherence (81S22) Computational molecular dynamics in statistical mechanics (82M37)

Related Items (4)

Chemical diffusion master equation: Formulations of reaction–diffusion processes on the molecular level ⋮ Derivation of Liouville-like equations for the n-state probability density of an open system with thermalized particle reservoirs and its link to molecular simulation ⋮ A probabilistic framework for particle-based reaction-diffusion dynamics using classical Fock space representations ⋮ Coupling Particle-Based Reaction-Diffusion Simulations with Reservoirs Mediated by Reaction-Diffusion PDEs

Uses Software

• AMBER
• AdResS
• CP2K

Cites Work

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• Irreversible Gibbsian ensembles
• Numerical approximation of hyperbolic systems of conservation laws
• Molecular systems with open boundaries: theory and simulation
• New Approach to Nonequilibrium Processes
• Grand canonical adaptive resolution simulation for molecules with electrons: a theoretical framework based on physical consistency

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