| Preface |
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| Overview of ICCP6-CCP2003 |
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iv | |
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Protein Folding as Studied in Generalized-ensemble Simulations of All-atom Protein Models |
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1 | (11) |
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Stochasticity Defined Evolution in Dynamical Systems and Complex Networks |
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12 | (7) |
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Large Scale Electronic Structure Calculations: Fracture and Surface Reconstruction of Silicon |
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19 | (4) |
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A Dimension Split Method for the Linear and Nonlinear Shell Theory |
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23 | (29) |
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First-Principle Study and Design of Half-Metallic Ferromagnets Compatible with Semiconductors |
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52 | (6) |
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Phase Transitions in a Model of Cooperative Behavior in the Brain |
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58 | (5) |
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High Performance Computers - a Status Report |
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63 | (21) |
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Flat Histogram Monte Carlo for Low Temperature Simulations |
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84 | (7) |
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Nonlinear Evolution of the Ablative Rayleigh-Taylor Instability |
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91 | (7) |
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Models and Numerical Simulations of Atmosphere-Vegetation-Soil Interactions and Ecosystem Dynamics |
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98 | (12) |
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Part
2. Materials Science, Molecular Dynamics, etc. |
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Face and Temperature-Dependent Surface Segregation in Pt25Rh75 Alloy |
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110 | (4) |
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Simulation of Local Microstructure of Amorphous Alloys CoxB100-x |
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114 | (4) |
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Effects of O2 Adsorption on the Electronic and Optical Properties of Single-Walled Carbon Nanotubes |
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118 | (4) |
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Computer Simulation of Diffusion in Amorphous Solid |
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122 | (4) |
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Molecular Dynamics Modelling of Lifetime and Decay of Metastable Crystals under Superheating or Stretching |
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126 | (4) |
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A New Method for Eigenvalues of the Schrodinger Equation |
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130 | (4) |
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Molecular Dynamics Study of Local Structure of Amorphous and Liquid Alumina |
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134 | (4) |
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Angular Focusing in Coupled Quantum Rotors |
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138 | (4) |
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Dipolar Interaction between Oxygen Impurities in Germanium |
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142 | (4) |
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Carbon Interstitials in Iron: Molecular Dynamics Study |
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146 | (4) |
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Improving the Performance of a Simulator of Nanoscale Measurements of Material Properties |
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150 | (4) |
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Combined Multi-Range Interpolated Potential for MD Simulations |
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154 | (4) |
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Analytical Model for the DC I-V Characteristics of N-Channel 4H-SiC MOSFET Based on Surface Potential |
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158 | (4) |
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Numerical Solution of Three-wave Soliton Excitations in Bose-Einstein Condensation |
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162 | (4) |
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Static Equation of State and Elastic Constants for GaSe Calculated by APW+lo Method |
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166 | (4) |
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Magic Numbers of Nickel Clusters Studied within MAEAM and Compared with Experiments |
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170 | (4) |
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Nematic Liquid Crystal Film Composed of Finite Molecular Layers Based upon Spatially Anisotropic Pair Potential |
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174 | (4) |
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Structural and Electronic Properties of Poly-para-phenylene |
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178 | (4) |
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Part
3. Fluids Dynamics, Computational Methods, etc. |
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Forced Oscillator Method and Its Applications |
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182 | (4) |
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Numerical Simulation of Oil Resources Migration-Accumulation of Fluid Mechanics in Porous Media |
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186 | (6) |
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Numerical Investigation of the Stability of Flows Induced by a Surface Acoustic Wave along a Slab |
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192 | (3) |
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Numerical Method and Analysis for Single-phase Incompressible Flow in Naturally Fractured Reservoirs |
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195 | (4) |
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The Boundary Element Analysis for the Thermal Conduction of the Thermal Equipment |
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199 | (4) |
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A Mesh Optimization Strategy for ALE Codes |
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203 | (5) |
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Theoretical Analysis and Numerical Simulations of a Class of Two-dimensional Moisture Transferring Model |
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208 | (6) |
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The Elimination of Unknowns with Differential Quadrature Method for the Stokes Equations |
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214 | (4) |
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A High Resolution Finite Volume Method on Unstructured Meshes |
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218 | (7) |
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Two-dimensional, Numerical Simulation of the Shock-accelerated Multi-components Flow |
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225 | (5) |
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Dynamics and Numerical Simulations of Hydrological Vegetation-soil Interactions |
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230 | (4) |
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A Mixed Element Type Unstructured Grid Method for Simulating 3D Turbulent Flows |
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234 | (5) |
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SPH Method and Its Application to Simulate Hyper-velocity Impact Phenomena |
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239 | (4) |
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The Simulation of Thermal Shock Wave Induced by High Intense Particle Beams in Aluminum |
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243 | (5) |
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Nonlinear Wave Equations Arising in Modelling of Some Strain-Hardening Structures |
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248 | (4) |
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Numerical Analysis of Hydrodynamics of Floating-Ring Bearing |
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252 | (5) |
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Boundary Element Analysis on Flow Problem around Cascades with Small Angle of Attack |
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257 | (4) |
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Numerical Simulations of a Moving Boundary Problem in Soil Hydrological Processes |
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261 | (4) |
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Numerical Modeling and Temperature Data Assimilation for the China Seas and Adjacent Areas |
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265 | (4) |
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The Nonconforming Wilson Element for Nonlinear Parabolic Equations and Its Multigrid Method |
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269 | (10) |
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Adaptive Coordinate Transformation Methods for 2D Euler Equation |
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279 | (5) |
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A Three-Variable Ecosystem Model and Its Numerical Simulations |
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284 | (4) |
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Efficient Predictions of Hypersonic and Supersonic Flutter |
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288 | (5) |
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3D Wave Equation Prestack Depth Migration Based on Wavefield Synthesizing |
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293 | (5) |
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Part
4. Parallel Computation, Plasma Physics, etc. |
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HPC Computational Frameworks |
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298 | (13) |
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Spherical Harmonics Method for the Neutron Transport Equation Based on Unstructured-Meshes |
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311 | (5) |
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Large Scale and Non-Uniform Simulation of Parallel Molecular Dynamics |
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316 | (5) |
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Numerically Simulating Stochastic Generalized Nonlinear Schrodinger Equations: Robust Algorithm |
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321 | (4) |
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An Improved Conjugate Residual Algorithm for Large Symmetric Linear Systems |
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325 | (4) |
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``Snap-back Point'' Study of PWM Micro-accelerometer |
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329 | (6) |
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A Detailed Term Accounting Model for the Opacity Calculation of Hot Dense Sodium Fluoride Plasma |
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335 | (3) |
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Scalable Parallel Smith-Waterman Algorithms |
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338 | (5) |
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Parallel Computing for the 2-dimension Energy Equations with Three Temperatures |
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343 | (4) |
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Molecular Dynamics Modelling and Simulation of Equilibrium and Strongly Nonequilibrium Strongly Coupled Plasmas |
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347 | (4) |
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Calculation and Revision of the Hamaker Theory |
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351 | (6) |
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Revision of the Micro Continuance Medium Theory Gap among Atoms |
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357 | (8) |
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A Parallel Method to Incomplete Factorizations of Block Tridiagonal Matrices |
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365 | (4) |
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A New Stochastic Projection Method for the Bose-Einstein Condensation |
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369 | (4) |
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Calculate the Feature Parameter of TEM Imaging to Subsurface |
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373 | (5) |
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A 3-D Planning System for Tumour Radiation Treatment |
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378 | (7) |
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The Parallel Iterative Difference Schemes Based on Interface Correction for Parabolic Equations |
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385 | (4) |
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Two-Dimensional Model of Evolution in the DC Are Plasma Generator |
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389 | (4) |
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Scaling of Message Diffusion in Directed Dynamical Small-world Networks with Random Responses |
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393 | (7) |
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Configuration of 2D Finite Clusters in Plasmas Sheath |
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400 | (4) |
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| Author Index |
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404 | |
