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fifth-order gear predictor-corrector algorithm for translational motion  (Molecular Dynamics Inc)

 
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    Molecular Dynamics Inc fifth-order gear predictor-corrector algorithm for translational motion
    Fifth Order Gear Predictor Corrector Algorithm For Translational Motion, supplied by Molecular Dynamics Inc, used in various techniques. Bioz Stars score: 90/100, based on 1 PubMed citations. ZERO BIAS - scores, article reviews, protocol conditions and more
    https://www.bioz.com/product/gear+algorithm/fifth+order+gear+predictor+corrector+algorithm/pm15847543-50-13-0
    Average 90 stars, based on 1 article reviews
    fifth-order gear predictor-corrector algorithm for translational motion - by Bioz Stars, 2026-10
    90/100 stars

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    Article Title: Simulational Tests of the Rouse Model.
    Article Snippet: Molecular dynamics were executed using a sixth-order predictor– corrector model.

    Article Title: Surface melting of close-packed Mg(0001), compared with Al(111)
    Article Snippet: Using molecular dynamics simulations and an analytic embedded-atom method, a comparative study of the surface anharmonicity for the close-packed surface of Mg(0001) and Al(111) is presented in the temperature range from 0 K to their melting temperatures.. The temperature dependences of the surface phonon frequencies, the mean square vibrational amplitudes of surface atoms and the layer structure factor are calculated.. The calculated results are in good agreement with the available experimental data.

    Article Title: Computer simulation of the role of torsional flexibility on mass and momentum transport for a series of linear alkanes.
    Article Snippet: We present the results obtained from a systematic equilibrium molecular dynamics study of the effect of torsional flexibility on the diffusion and viscosity of a series of linear alkanes.. To make unambiguous comparisons between molecules with torsional flexibility and those without, we use the frozen distribution sampling (FDS) method introduced by Travis et al. [J. Chem.. Phys.

    Article Title: Levitation effect: size-dependent maximum in rotational diffusion in confined systems.
    Article Snippet: Levitation effect: Size-dependent maximum in rotational diffusion in confined systems Manju Sharma, S. Y. Bhide, and S. Yashonath Citation: The Journal of Chemical Physics 122, 144505 (2005); doi: 10.1063/1.1882272 View online: http://dx.doi.org/10.1063/1.1882272 View Table of Contents: http://scitation.aip.org/content/aip/journal/jcp/122/14?ver=pdfcov Published by the AIP Publishing Articles you may be interested in A fractal theory based fractional diffusion model used for the fast desorption process of methane in coal Chaos 23, 033111 (2013); 10.1063/1.4813597 Non-monotonic size dependence of diffusion and levitation effect: A mode-coupling theory analysis J. Chem.. Phys.. 138, 124505 (2013); 10.1063/1.4796232 Experimental system to evaluate the effective diffusion coefficient of radon Rev.

    Article Title: Simulational Tests of the Rouse Model
    Article Snippet: Molecular dynamics were executed using a sixth-order predictor–corrector model.

    Article Title: Quantum effect induced kinetic molecular sieving of hydrogen and deuterium in microporous materials
    Article Snippet: We report here our investigations using Monte Carlo and molecular dynamics (MD) simulations, as well as quasi-elastic neutron scattering experiments, to study the adsorption and diffusion of H2 and D2 in zeolite Rho.. In the simulations, quantum effects are incorporated via the Feynman-Hibbs variational approach.. At low temperatures, we observe a reversal of kinetic molecular sieving in which D2 diffuses faster than H2.



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