Computer Simulation Studies in Condensed-Matter Physics XVII

Proceedings of the Seventeenth Workshop, Athens, Ga, USA, February 16-20, 2004

By: David P. Landau (Editor), Steven P. Lewis (Editor), Heinz-Bernd Schuttler (Editor)

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Hardcover | 22 December 2005

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Over ?fteen years ago, because of the tremendous increase in the power and utility of computer simulations, 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 Recent DevelopmentsinComputerSimulationStudiesinCondensedMatterPhysics. 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 condensed matter physics. 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.

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You Can Find This Book In

Non-Fiction Science Physics Materials & States of Matter Engineering & Technology Mechanical Engineering & Materials Materials Science Computing & I.T.Graphical & Digital Media Applications 3D Graphics & Modelling Chemistry Physical Chemistry

Computer simulation studies in condensed matter physics : an introduction	p. 1
Shake, rattle or roll : things to do with a granular mixture on a computer	p. 7
A new method of investigating equilibrium properties from nonequilibrium work	p. 19
Numerical simulations of critical dynamics far from equilibrium	p. 25
Entropy driven phase separation	p. 45
Supercooled liquids under shear : computational approach	p. 61
Optimizing glasses with extremal dynamics	p. 74
Stochastic collision molecular dynamics simulations for ion transfer across liquid-liquid interfaces	p. 80
Generalized-ensemble simulations of small proteins	p. 87
A biological coevolution model with correlated individual-based dynamics	p. 90
An image recognition algorithm for automatic counting of brain cells of fruit fly	p. 95
Preferred binding sites of gene-regulatory proteins based on the deterministic dead-end elimination algorithm	p. 100
Geometric cluster algorithm for interacting fluids	p. 109
Polymer simulations with a flat histogram stochastic growth algorithm	p. 122
Convergence of the Wang-Landau algorithm and statistical error	p. 136
Wang-Landau sampling with cluster updates	p. 142
Multibaric-multithermal simulations for Lennard-Jones fluids	p. 146
A successive umbrella sampling algorithm to sample and overcome free energy barriers	p. 151
C++ and generic programming for rapid development of Monte Carlo simulations	p. 157
Visualization of vector spin configurations	p. 169
The BlueGene/L project	p. 174
All-electron path integral Monte Carlo simulations of small atoms and molecules	p. 181
Projective dynamics in realistic models of nanomagnets	p. 196
Cumulants for an Ising model for folded 1-d small-world materials	p. 201
Embryonic forms of nickel and palladium : a molecular dynamics computer simulation	p. 205
Usage of pattern recognition scheme in kinetic Monte Carlo simulations : application to cluster diffusion on Cu(111)	p. 215
Including long-range interactions in atomistic modelling of diffusional phase changes	p. 241
Br electrodeposition on Au(100) : from DFT to experiment	p. 258
Simulation of ZnSe, ZnS coating on CdSe substrate : the electronic structure and absorption spectra	p. 265
Simulation of islands and vacancy structures for Si/Ge-covered Si(001) using a hybrid MC-MD algorithm	p. 270
Spin-polarons in the FM Kondo model	p. 276
Table of Contents provided by Blackwell. All Rights Reserved.

Computer Simulation Studies in Condensed-Matter Physics XVII

Proceedings of the Seventeenth Workshop, Athens, Ga, USA, February 16-20, 2004

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