Computer Simulation Studies in Condensed-Matter Physics XVII: Proceedings of the Seventeenth Workshop, Athens, GA, USA, February 16-20, 2004 / Edition 1by David P. Landau
This status report features the most recent developments in the field, spanning a wide range of topical areas in the computer simulation of condensed matter/materials physics. Both established and new topics are included, ranging from the statistical mechanics of classical magnetic spin models to electronic structure calculations, quantum simulations, and… See more details below
This status report features the most recent developments in the field, spanning a wide range of topical areas in the computer simulation of condensed matter/materials physics. Both established and new topics are included, ranging from the statistical mechanics of classical magnetic spin models to electronic structure calculations, quantum simulations, and simulations of soft condensed matter. The book presents new physical results as well as novel methods of simulation and data analysis. Highlights of this volume include various aspects of non-equilibrium statistical mechanics, studies of properties of real materials using both classical model simulations and electronic structure calculations, and the use of computer simulations in teaching.
Table of Contents
Computer Simulation Studies in Condensed Matter Physics: An Introduction.- Shake, Rattle or Roll: Things to do with a Granular Mixture on a Computer. A New Method of Investigating Equilibrium Properties from Nonequilibrium Work.- Numerical Simulations of Critical Dynamics Far from Equilibrium.- Entropy Driven Phase-Separation.- Supercooled Liquids under Shear: Computational Approach.- Optimizing Glasses with Extremal Dynamics.- Shastic Collision Molecular Dynamics Simulations for Ion Transfer Across Liquid-Liquid Interfaces.- Generalized-Ensemble Simulations of Small Proteins.- A Biological Coevolution Model with Correlated Individual-Based Dynamics.- An Image Recognition Algorithm for Automatic Counting of Brain Cells Of Fruit Fly.- Preferred Binding Sites of Gene-Regulatory Proteins Based on the Deterministic Dead-End Elimination Algorithm.- Geometric Cluster Algorithm for Interacting Fluids.- Polymer Simulations with a Flat Histogram Shastic Grown Algorithm.- Convergence and Errors of the Wang-Landau Algorithm.- Wang-Landau Sampling with Cluster Updates.- Multibaric-Multithermal Simulations of Lennard-Jones Fluids.- Successive Umbrella Sampling Algorithm to Sample and Overcome Free Energy Barrier.- C++ and Generic Programming for Rapid Development of Monte Carlo Simulations.- Visualization of Vector Spin Configurations.- The BlueGene/L Project.- All-Electron Path Integral Monte Carlo Simulations of Small Atoms and Molecules.- Projective Dynamics in Realistic Models of Nanomagnets.- Cumulates for an Ising Model for Folded 1-3 Small-World Materials.- Embryonic Forms of Nickel and Palladium. A Molecular Dynamics Computer.- Usage of Pattern Recognition Scheme in Kinetic Monte Carlo Simulations: Application to Cluster Diffusion on Cu(111).- Including Long-Range Interactions in Atomistic Modeling of Diffusional Phase Changes.- Br Electrodeposition on Au(100): From DFT to Experiment, an Off-lattice Model.- Simulation of ZnSe, ZnS Coating on CdSe Substrate: The Electronic Structure and Absorption Spectra.- Simulation of Islands and Vacancy Structures for Si/Ge-Covered Si(001) Using a Hybrid MC-MD Algorithm.- Spin-Polarons in the FM Kondo Model.
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