Symmetric, explicit numerical integrator for molecular dynamics equations of motion with a generalized friction
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Publication:5379392
DOI10.1063/1.5012871zbMath1458.65076OpenAlexW2953372347WikidataQ128020838 ScholiaQ128020838MaRDI QIDQ5379392
Publication date: 28 May 2019
Published in: Journal of Mathematical Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1063/1.5012871
Numerical methods for initial value problems involving ordinary differential equations (65L05) Mathematical modeling or simulation for problems pertaining to statistical mechanics (82-10)
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On ergodicity for multidimensional harmonic oscillator systems with Nosé-Hoover-type thermostat ⋮ Temperature–energy-space sampling molecular dynamics: deterministic and single-replica method utilizing continuous temperature system
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