Coarse-grained solvent-free simulation models enabling the study of self-assembling fluid lipid bilayers have been the goal of much recent modeling efforts, since their realization appeared to be quite intricate. this...
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ISBN:
(纸本)9783540856245
Coarse-grained solvent-free simulation models enabling the study of self-assembling fluid lipid bilayers have been the goal of much recent modeling efforts, since their realization appeared to be quite intricate. this contribution reviews some of the challenges faced along the way, presents a surprisingly simple solution, and illustrates its capacity by means of three examples of biological interest.
We present a computersimulation model that is strictly causal and local in Einstein's sense, does not rely on concepts of quantum theory but. can nevertheless reproduce the results of quantum theory for the singl...
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ISBN:
(纸本)9783540856245
We present a computersimulation model that is strictly causal and local in Einstein's sense, does not rely on concepts of quantum theory but. can nevertheless reproduce the results of quantum theory for the single-spin expectation values and two-spin correlations in an Einstem-Podolsky-Rosen-Bohm experiment.
Rare-event simulations can be limited by the wide range of time scales they must often probe. Using accelerated molecular dynamics in the framework of hyperdynamics, we overcome this limitation by identifying and cons...
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ISBN:
(纸本)9783540856245
Rare-event simulations can be limited by the wide range of time scales they must often probe. Using accelerated molecular dynamics in the framework of hyperdynamics, we overcome this limitation by identifying and consolidating groups of shallow minima into coarse states [1]. the method ensures a correct, equilibrium sampling of the fast processes while enabling the simulation to be run on the time scale of the slow events. We demonstrate the method in accelerated molecular-dynamics simulations of the diffusion of Co clusters on Cu(001) [2].
Competing phases or interactions in complex many-particle systems can result in free energy barriers that strongly suppress thermal equilibration. Here we discuss how extended ensemble Monte Carlo simulations can be u...
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ISBN:
(纸本)9783540856245
Competing phases or interactions in complex many-particle systems can result in free energy barriers that strongly suppress thermal equilibration. Here we discuss how extended ensemble Monte Carlo simulations can be used to study the equilibrium behavior of such systems. Special focus will be given to a recently developed adaptive Monte Carlo technique that is capable to explore and overcome. the entropic barriers which cause the slow-clown. We discuss this technique in the context of broad-histogram Monte Carlo algorithms as well as its application to replica-exchange methods such as parallel tempering. We briefly discuss a number of examples including low-temperature states of magnetic systems with competing interactions and dense liquids.
Point particles interacting with inverse power-law potentials call describe colloidal particles at the air-water interface, a model system for the experimental study of melting in two dimensional (2d). Monte Carlo sim...
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ISBN:
(纸本)9783540856245
Point particles interacting with inverse power-law potentials call describe colloidal particles at the air-water interface, a model system for the experimental study of melting in two dimensional (2d). Monte Carlo simulations are used to investigate the effect of confinement. on such a system in the crystalline state. It is shown that the state of the system (a strip of width D) depends very sensitively on the precise boundary conditions at the two parallel "walls" providing the confinement. in the y-direction parallel to these walls, orientational order is locally always enhanced but. positional long range. order is destroyed, if the wall is just a smooth repulsive boundary with no corrugation in the y-direction. then the mean-square displacement of two particles n. lattice parameters apart in y-direction cross over from the logarithmic increase (characteristic for 2d) to a linear increase (characteristic for 1d). However, using a, suitable corrugated boundary stabilizes the positional long range order, illustrating the fact systems which may exhibit long range order are sensitive to boundary conditions at their surfaces even if these boundaries are far apart.
Because of the tremendous increase in the power and utility of computersimulations, in 1986 the University of Georgia created the Center for Simu lational physics as a unit devoted to the use of simulations in ...
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ISBN:
(数字)9783642592935
ISBN:
(纸本)9783642639234
Because of the tremendous increase in the power and utility of computersimulations, in 1986 the University of Georgia created the Center for Simu lational physics as a unit devoted to the use of simulations in research and teaching. As the international "simulations community" expanded further, we sensed a need for a meeting place for both experienced simulators and beginners to present and discuss new techniques and recent results in an envi ronment which promoted a lively exchange of information. As a consequence, the Center for simulational physics established an annual workshop on Re cent developments in computersimulationstudies in condensedmatterphysics. this year's workshop was the 16th in this series, and the continued interest shown by the simulations community demonstrates quite clearly the useful purpose that these meetings have served. the latest workshop was held at the University of Georgia, February 24-28, 2003, and these proceedings provide a "status report" on a number of important topics. this volume is published withthe goal of timely dissemination of the material to a broader audience. We wish to offer a special thanks to IBM Corporation and to the National Science Foundation for partial support of this year's workshop. this volume contains both invited papers and contributed presentations on problems in both classical and quantum condensedmatterphysics. It is our hope that each reader will benefit from specialized results as well as profit from exposure to new algorithms, methods of analysis, and conceptual developments.
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