The proceedings contain 22 papers. The topics discussed include: flat-histogram methods in quantum Monte Carlo simulations: application to the t-j model;manifest and subtle cyclic behavior in nonequilibrium steady sta...
The proceedings contain 22 papers. The topics discussed include: flat-histogram methods in quantum Monte Carlo simulations: application to the t-j model;manifest and subtle cyclic behavior in nonequilibrium steady states;thermodynamics and phase coexistence in nonequilibrium steady states;an answer checking method for quantum annealers;stable knots in the phase diagram of semiexible polymers: a topological order parameter?;determination of shape-reactivity relationships in Al-nanoclusters;a mean-field analysis of the simple model of evolving open systems;comparing atomistic and coarse{grained simulations of P3HT;and simulation and visualization of crystal shapes and interfaces.
Two decades ago,because of the tremendous increasein the power and utility of computersimulations, The University of Georgia formed the ?rst insti- tional unit devoted to the use of simulations in research and teachi...
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ISBN:
(数字)9783540856252
ISBN:
(纸本)9783540856245;9783642099229
Two decades ago,because of the tremendous increasein the power and utility of computersimulations, The University of Georgia formed the ?rst insti- tional unit devoted to the use of simulations in research and teaching: The Center for simulational physics. As the international simulations community expanded further, we sensed a need for a meeting place for both experienced simulators and neophytes to discuss new techniques and recent results in an environment which promoted lively discussion. As a consequence, the Center for simulational physics established an annual workshop on recent Devel- ments in computersimulationstudies in condensedmatterphysics. This year’s workshop was the nineteenth in this series, and the continued interest shown by the scienti?c community demonstrates quite clearly the useful p- pose that these meetings have served. The latest workshop was held at The University of Georgia, February 20–24, 2006, and these proceedings provide a “status report” on a number of important topics. This volume is published with the goal of timely dissemination of the material to a wider audience. We wish to o?er a special thanks to IBM 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. We hope that each reader will bene?t from specialized results as well as pro?t from exposure to new algorithms, methods of analysis, and conceptual dev- opments. Athens, GA, USA D. P. Landau July 2006 S. P. Lewis H. -B.
The contribution of computersimulationstudies to our understanding of the prop erties of a wide range of condensedmatter systems is now weIl established. The Center for simulational physics of the University ...
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ISBN:
(数字)9783642763823
ISBN:
(纸本)9783642763847
The contribution of computersimulationstudies to our understanding of the prop erties of a wide range of condensedmatter systems is now weIl established. The Center for simulational physics of the University of Georgia has been hosting a series of annual workshops with the intent of bringing together experienced prac titioners in the field, as weIl as relative newcomers, to provide a forum for the exchange of ideas and recent results. This year's workshop, the third in the series, was held February 12-16, 1990. These proceedings are arecord of the workshop and are published with the goal of timely dissemination of the papers to a wider audience. The proceedings are divided into four parts. The first contains invited pa pers dealing with simulational studies of classical systems and also includes an introduction to some new simulation techniques. Aseparate section is devoted to invited papers on quantum systems, including new results for strongly correlated electron and quantum spin models believed to be important for the description of high-Tc superconductors. The third part consists of a single invited paper, which presents a comprehensive treatment of issues associated with high perfor mance computing, including differences in architectures and a discussion of access strategies. The contributed papers constitute the final part.
Origin of a power-law in traffic-volume distribution found in traffic simulations of Kobe city was studied. The traffic distribution which was obtained from a shortest path search with randomized OD (origin-destinatio...
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is devoted to Prof. Masuo Suzuki's ideas, which have made novel, new simulations possible. These proceedings, of the 1997 workshop, comprise three parts that deal with new algorithms, methods of analysis, and conc...
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ISBN:
(数字)9783642468513
ISBN:
(纸本)9783642468537
is devoted to Prof. Masuo Suzuki's ideas, which have made novel, new simulations possible. These proceedings, of the 1997 workshop, comprise three parts that deal with new algorithms, methods of analysis, and conceptual developments. The first part contains invited papers that deal with simulational studies of classical systems. The second of the proceedings is devoted to invited papers on quantum systems, including new results for strongly correlated electron and quantum spin models. The final part contains a large number of contributed presentations.
Using auxiliary-field quantum Monte Carlo we study superconductivity in a simple extension of the two-dimensional negative-U Hubbard model which hosts Weyl nodes near the Fermi surface. We discuss the model and our me...
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We are discussing a model to understand previously obtained results on Weyl semimetals as realized in MoTe2 using DFT and DFT+U calculations. The model is motivated from general principles and we use it to investigate...
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Over ?fteen years ago, because of the tremendous increase in the power and utility of computersimulations, The University of Georgia formed the ?rst institutional unit devoted to the use of simulations in research an...
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ISBN:
(数字)9783540265658
ISBN:
(纸本)9783540265641;9783642065873
Over ?fteen years ago, because of the tremendous increase in the power and utility of computersimulations, The University of Georgia formed the ?rst institutional unit devoted to the use of simulations in research and teaching: The Center for simulational physics. As the international simulations c- munityexpandedfurther,wesensedaneedforameetingplaceforbothex- riencedsimulatorsandneophytestodiscussnewtechniquesandrecentresults in an environment which promoted lively discussion. As a consequence, the Center for simulational physics established an annual workshop on recentdevelopmentsincomputersimulationstudiesincondensedmatterphysics. This year’s workshop was the seventeenth in this series, and the continued interest shown by the scienti?c community demonstrates quite clearly the useful purpose that these meetings have served. The latest workshop was held at The University of Georgia, February 16–20, 2004, and these proce- ings provide a “status report” on a number of important topics. This volume is published with the goal of timely dissemination of the material to a wider audience. We wish to o?er a special thanks to IBM and to SGI 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. We hope that each reader will bene?t from specialized results as well as pro?t from exposure to new algorithms, methods of analysis, and conceptual dev- opments.
In this article techniques for including dispersion interactions within density functional theory are examined. In particular comparisons are made between four popular methods: dispersion corrected DFT, pseudopotentia...
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The proceedings contain 19 papers. The topics discussed include: the zeros of the energy probability distribution - a new way to study phase transitions;accuracy and transferability of ab initio electronic band struct...
The proceedings contain 19 papers. The topics discussed include: the zeros of the energy probability distribution - a new way to study phase transitions;accuracy and transferability of ab initio electronic band structure calculations for doped BiFeO3;collective motion in repulsive self-propelled particles in confined geometries;interface of topological insulator Bi2Se3 with As2Te3;high resolution Monte Carlo study of the Domb-Joyce model;applying renormalization group to quantum walks;an iterative aggregation and disaggregation approach to the calculation of steady state distributions of continuous processes;universality and phase diagrams of the Baxter-Wu model in a crystal field: spin-1 and spin-3/2;application of artificial neural networks to identify equilibration in computersimulations;an open-source job management framework for parameter-space exploration: OACIS;a study of vibrating nanotubes with additional adsorbed masses;interactions between proteins and poly(ethylene-glycol) investigated using molecular dynamics simulations;combined molecular and spin dynamics simulation of bcc iron with lattice vacancies;structure of transition metal clusters: a force-biased Monte Carlo approach;transition barrier at a first-order phase transition in the canonical and microcanonical ensemble;shape matters: the case for ellipsoids and ellipsoidal water;Yaldram-Khan model with CO and N desorption;and population annealing: massively parallel simulations in statistical physics.
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