With the dramatic increase in speed and capacity of modern computers, computational approaches are becoming of crucial importance in various fields of science and engineering. Computational science is the interdisciplinary science, which promotes systematic development of methodologies and framework of computational approaches, basic studies of algorithms and soft-computation technologies and vast areas of applications.

This volume is the proceedings of International Symposium on Frontiers of Computational Science 2005, containing papers from 7 plenary and keynote lecturers, 17 invited lecturers and 33 contributed papers. This book discusses the high-level use of computers in a wide variety of areas such as fluid mechanics, material and genome sciences.

This book is suitable for researchers and postgraduate students in computational science including computational biophysics, computational thermal and fluid mechanics, computational physics, and quantum chemistry. It is especially useful also for engineers in automobile, semiconductor, chemical and pharmaceutical industries.

Zusammenfassung

Computational science based on the high-level use of computers has been called the third major method in the field of scientific research, standing alongside the conventional methods of theory and experiment. This books covers the wide-ranging scientific areas of computational science, from basic research fields such as algorithms and soft-computing to diverse applied fields targeting macro, micro, nano, genome and complex systems.

Inhalt
Plenary & Keynote Papers.- Computational Methods Combining Large Eddy Simulation with Approximate Wall-Layer Models for Predicting Separated Turbulent Near-Wall Flows.- Numerical Experimentation: A Third Way to Study Nature.- Recent Computational Developments in Quantum Conductance and Field Emission of Carbon Nanotubes.- Energy Landscapes of Protein Self-Assembly: Lessons from Native Topology-Based Models.- A Brief Introduction to Krylov Space Methods for Solving Linear Systems.- Recent Developments in DNS and Modeling of Rotating Wall-Turbulent Shear Flows with Heat Transfer.- Contribution of Computational Biology and Structural Genomics to Understand Genome and Transcriptome.- Invited Papers.- Achromatic and Chromatic Visual Information Processing and Discrete Wavelets.- On Decaying Two-Dimensional Turbulence in a Circular Container.- A Study Toward Improving Accuracy of Large Scale Industrial Turbulent Flow Computations.- Direct Numerical Simulations of Turbulent Premixed Flames with Realistic Kinetic Mechanisms.- Variational Monte Carlo Studies of Superconductivity in ?-BEDT-TTF Salts.- Simulation for Measurements of Electric Properties of Surface Nanostructures.- Ultra-Fast Dynamics in Nanocarbon Explored by TDDFT-MD Simulations.- Heat Transport in Nanoscale Objects: Classical to Quantum.- Aromaticity Driven Rupture of CN and CC Multiple Bonds.- Protein Function Prediction in Proteomics Era.- What We can Learn about Protein Folding from Recent Progress in Structure Prediction.- Brownian Dynamics Approach to Protein Folding.- A Fourth Type of Secondary Structure Breaker.- Neighborhood Parallel Simulated Annealing.- New Computing System Architecture for Simulation of Biological Signal Transduction Networks.- Convergence Analysis of GMRES Methods for Least SquaresProblems.- A Numerical Method for Calculating the Green's Function Arising from Electronic Structure Theory.- General Contribution.- Direct Numerical Simulation of Turbulent Channel Flow Imposed with Spanwise Couette Flow.- Reynolds-Number Dependence of Transport Barriers in Chaotic Mixing.- On the Treatment of Long-range Electrostatic Interactions in Biomolecular Simulations.- DNS of Turbulent Channel Flow Obstructed by Rectangular Ribs.- Source Models of Gravity Waves in an F-plane Shallow Water System.- Direct Numerical Simulation of Neutrally Stratified Ekman Boundary Layer.- Application of the Renormalization Group Analysis to a Noisy KuramotoSivashinsky Equation and its Numerical Simulation.- Wavelet-Based Statistics in High-Resolution Direct Numerical Simulations of Three-Dimensional Homogeneous Isotropic Turbulence.- Hydrophobic Hydration on Nanometer Length Scale.- Ultra-Fast Genome Wide Simulation of Biological Signal Transduction Networks: Starpack.- Molecular Dynamics Study on Interaction of C-Component Dislocation Loop and Edge Dislocation in ?-Zirconium.- Theoretical Analysis of Intramolecular Interaction.- Effect of Nanoscale Structure of Solid Surface on Moving Droplet.- Proximity Effect in NS Junctions in the Presence of Anderson Impurities.- WiedemannFranz Law in Diffusive Normal Metal/p-Wave Superconductor Junctions.- Nodal Structures of Wave Functions in Chaotic Billiards.- Elongation of Water Residence Time at the Protein Interior in Aqueous Solution with Ectoine.- Analytical Model for Protein Folding.- Theoretical Research on Dynamics of the Genetic Toggle Switch.- Non-Condon Theory for the Energy Gap Dependence of Electron Transfer Rate.- Density Functional Molecular Orbital Calculations on Longer DNADNA and PNADNA Double Strands.- AParallel Computing Framework for Nonexperts of Computers: Easy Installation, Programming and Execution of MasterWorker Applications Using Spare Computing Power of PCs.- Derivation of TIS for Search Performance Quantification on HC Method.- Improvement of Search Performance of Genetic Algorithm Through Visualization of Search Process.- A Proposal for Analysis of SD Evaluation Data by Using Clustering Method Focused on Data Distribution.- Multiobjective Evolutionary RBF Networks and Its Application to Ensemble Learning.- A New Concept of Cerebral Autoregulation Using Mathematical Expressions.- Evolution Strategies on Desktop Grid Environment Using Scheduling Algorithms RR for Same Length Tasks.- Solution of Black-Scholes Equation By Using RBF Approximation.- Visualization of Differences on Two Subjects' Impression Words Based on Correlation of SD Data.- Evaluation of High Imaging Quality LCDs Which Features Moving Picture: Comparison using Stabilometers.- Template Translation for Multilingual Disaster Information System.- An Application of Double-Wayland Algorithm to Detect Anomalous Signals.