Canonical dynamics: Equilibrium phase-space distributions.
By W. G. Hoover. 1985
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Citations in the corpus
- OpenMM 8: Molecular Dynamics Simulation with Machine Learning Potentials (2023, unknown): “Other new integrators have also been added, including a Nosé-Hoover integrator 39 , a dual-temperature version of the Nosé-Hoover integrator for simulating Drude particles 40 , and a multiple time step Langevin integrator.”
- Buried interface molecular hybrid for inverted perovskite solar cells (2024, unknown): “The trajectories were propagated in a canonical ensemble (NVT) with the Nosé–Hoover thermostat 36,37 , with a time constant of 0.1 fs.”
- Accurate Force Field Parameters and pH Resolved Surface Models for Hydroxyapatite to Understand Structure, Mechanics, Hydration, and Biological Interfaces (2015, methodology): “The proposed models are supported by laboratory measurements of acid-base equilibria, solubility products, adsorption isotherms, AFM, SEM, TEM, IR and NMR spectroscopy, XPS, and Auger electron spectroscopy.(45-61) The surface reactions described in equations (3) to (6) closely follow the protonation”