Simulation algorithm that conserves energy and momentum for molecular dynamics of systems driven by switching potentials.
Jesudason, Christopher G. (2009)
Mathematical Problems in Engineering
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Displaying similar documents to “Computer simulation of the atomic behaviour in condensed phases.”
Simulation algorithm that conserves energy and momentum for molecular dynamics of systems driven by switching potentials.
Dissipation effects in the ratchetlike Fermi acceleration.
Manchein, Cesar, Beims, Marcus W. (2009)
Mathematical Problems in Engineering
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RNA packaging motor: From structure to quantum mechanical modelling and sequential-stochastic mechanism.
Telenius, Jelena, Wallin, Anders E., Straka, Michal, Zhang, Hongbo, Mancini, Erika J., Tuma, Roman (2008)
Computational & Mathematical Methods in Medicine
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Computer Simulation of Protein-Protein Association in Photosynthesis
I.B. Kovalenko, A.M. Abaturova, A.N. Diakonova, O.S. Knyazeva, D.M. Ustinin, S.S. Khruschev, G.Yu. Riznichenko, A.B. Rubin (2011)
Mathematical Modelling of Natural Phenomena
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The paper is devoted to the method of computer simulation of protein interactions taking part in photosynthetic electron transport reactions. Using this method we have studied kinetic characteristics of protein-protein complex formation for four pairs of proteins involved in photosynthesis at a variety of ionic strength values. Computer simulations describe non-monotonic dependences of complex formation rates on the ionic strength as the ...
Computational fluctuating fluid dynamics
John B. Bell, Alejandro L. Garcia, Sarah A. Williams (2010)
ESAIM: Mathematical Modelling and Numerical Analysis
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This paper describes the extension of a recently developed numerical solver for the Landau-Lifshitz Navier-Stokes (LLNS) equations to binary mixtures in three dimensions. The LLNS equations incorporate thermal fluctuations into macroscopic hydrodynamics by using white-noise fluxes. These stochastic PDEs are more complicated in three dimensions due to the tensorial form of the correlations for the stochastic fluxes and in mixtures due to couplings of energy and concentration fluxes (, Soret...
Vertical flow of a multiphase mixture in a channel.
Massoudi, Mehrdad, Rao, C.Lakshmana (2001)
Mathematical Problems in Engineering
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Superconductivity: From Fröhlich to nonadiabatic theory
Michal Svrček, Pavol Baňacký (1998)
Acta Universitatis Carolinae. Mathematica et Physica
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Low-variance direct Monte Carlo simulations using importance weights
Husain A. Al-Mohssen, Nicolas G. Hadjiconstantinou (2010)
ESAIM: Mathematical Modelling and Numerical Analysis
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We present an efficient approach for reducing the statistical uncertainty associated with direct Monte Carlo simulations of the Boltzmann equation. As with previous variance-reduction approaches, the resulting statistical uncertainty in hydrodynamic quantities (statistical uncertainty normalized by the characteristic value of quantity of interest) is small and independent of the magnitude of the deviation from equilibrium, making the simulation of arbitrarily small deviations from...