## Computer Simulation Studies in Condensed-Matter Physics XVII: Proceedings of the Seventeenth Workshop, Athens, GA, USA, February 16-20, 2004David P. Landau, Steven P. Lewis, Heinz-Bernd Schüttler 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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### Contents

3 | |

A New Method of Investigating Equilibrium Properties | 19 |

of Critical Dynamics far from Equilibrium | 41 |

Optimizing Glasses with Extremal Dynamics | 74 |

A Biological Coevolution Model | 90 |

Geometric Cluster Algorithm for Interacting Fluids | 109 |

Polymer Simulations | 122 |

Convergence of the WangLandau Algorithm | 136 |

C++ and Generic Programming for Rapid Development | 156 |

The BlueGeneL Project | 174 |

Projective Dynamics in Realistic Models of Nanomagnets | 196 |

Usage of Pattern Recognition Scheme | 214 |

Ghosh A Kara T S Rahman 215 | 240 |

R Mason R E Rudd A P Sutton 241 | 257 |

Daghofer W Koller A Prüll H G Evertz W von der Linden | 281 |

H Okumura Y Okamoto | 150 |

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103 Computer Simulation approximation atom cluster average behavior Berlin Heidelberg 2005 BlueGene/L bond calculations Chem colloid Computer Simulation Studies Condensed-Matter Physics Condensed-Matter Physics XVII configuration Corner Rounding correlation critical exponents curves D.P. Landau density density matrix depletion zone Detach along Step detailed balance diffusion ensemble equilibrium fermions flexible lattice fraction free energy function interactions Ising model Jarzynski equality kinetic Monte Carlo Kink Kink Detach Kink Incorp Lett Lewis and H.-B magnetization matrix method molecular dynamics Monte Carlo simulations move node obtained off-lattice parameter particles path integral performed PERM phase transition Phys Physics XVII Eds polymers potential probability Proceedings in Physics random walk relaxation Rounding at AA S.P. Lewis sampling Schüttler c Springer-Verlag shear shows spin Springer Proceedings Springer-Verlag Berlin Heidelberg statistical structure Studies in Condensed-Matter surface temperature vacancy vector Volume 103 Computer voxel XY model