Molecular systems with open boundaries: theory and simulation
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Publication:2405343
DOI10.1016/j.physrep.2017.05.007zbMath1370.81098OpenAlexW2714824404WikidataQ61152989 ScholiaQ61152989MaRDI QIDQ2405343
Matej Praprotnik, Luigi Delle Site
Publication date: 25 September 2017
Published in: Physics Reports (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.physrep.2017.05.007
Path integrals in quantum mechanics (81S40) Molecular physics (81V55) Molecular, statistical, and kinetic theories in solid mechanics (74A25) Open systems, reduced dynamics, master equations, decoherence (81S22)
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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, ESPResSo++ 2.0: advanced methods for multiscale molecular simulation, Grand canonical adaptive resolution simulation for molecules with electrons: a theoretical framework based on physical consistency, Liouville-type equations for the n-particle distribution functions of an open system, Two-sided Bogoliubov inequality to estimate finite size effects in quantum molecular simulations
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Cites Work
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