Numerical irreversibility in time-reversible molecular dynamics simulation

DOI10.1016/J.PHYSD.2004.05.004zbMath1054.81039OpenAlexW2078437613MaRDI QIDQ1886998

Yanyan Li

Publication date: 23 November 2004

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

Full work available at URL: https://doi.org/10.1016/j.physd.2004.05.004

zbMATH Keywords

Molecular dynamicsIrreversibilityRound-off errors

Mathematics Subject Classification ID

Computational methods for problems pertaining to quantum theory (81-08) Perturbation theories for operators and differential equations in quantum theory (81Q15) Many-body theory; quantum Hall effect (81V70) Molecular physics (81V55) Irreversible thermodynamics, including Onsager-Machlup theory (82B35)

Related Items (3)

Quantum properties of a cyclic structure based on tripolar fields ⋮ Expansion shock waves in the implosion process from a time-reversible molecular-dynamics simulation of a dual explosion process ⋮ Reversible simulation of hard disk fluid

Cites Work

• Unnamed Item
• Time reversibility in nonequilibrium thermomechanics
• Time-reversible continuum mechanics.
• Molecular dynamics and time reversibility
• Chaos and irreversibility in simple model systems

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