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1.

図書

図書
Tadeusz Iwaniec and Gaven Martin
出版情報: Oxford : Clarendon Press , New York : Oxford University Press, 2001  xv, 552 p. ; 25 cm
シリーズ名: Oxford mathematical monographs
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2.

図書

図書
Franz J. Vesely
出版情報: New York : Kluwer Academic/Plenum Publishers, c2001  xvi, 259 p. ; 26 cm
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目次情報: 続きを見る
The Three Pillars of Computational Physics / I:
Finite Differences / 1:
Interpolation Formulae / 1.1:
NGF Interpolation / 1.1.1:
NGB Interpolation / 1.1.2:
ST Interpolation / 1.1.3:
Difference Quotients / 1.2:
DNGF Formulae / 1.2.1:
DNGB Formulae / 1.2.2:
DST Formulae / 1.2.3:
Finite Differences in Two Dimensions / 1.3:
Sample Applications / 1.4:
Classical Point Mechanics / 1.4.1:
Diffusion and Thermal Conduction / 1.4.2:
Linear Algebra / 2:
Exact Methods / 2.1:
Gauss Elimination and Back Substitution / 2.1.1:
Simplifying Matrices: The Householder Transformation / 2.1.2:
LU Decomposition / 2.1.3:
Tridiagonal Matrices: Recursion Method / 2.1.4:
Iterative Methods / 2.2:
Jacobi Relaxation / 2.2.1:
Gauss-Seidel Relaxation (GSR) / 2.2.2:
Successive Over-Relaxation (SOR) / 2.2.3:
Alternating Direction Implicit Method (ADI) / 2.2.4:
Conjugate Gradient Method (CG) / 2.2.5:
Eigenvalues and Eigenvectors / 2.3:
Largest Eigenvalue and Related Eigenvector / 2.3.1:
Arbitrary Eigenvalue/-vector: Inverse Iteration / 2.3.2:
Potential Equation / 2.4:
Electronic Orbitals / 2.4.3:
Stochastics / 3:
Equidistributed Random Variates / 3.1:
Linear Congruential Generators / 3.1.1:
Shift Register Generators / 3.1.2:
Other Distributions / 3.2:
Fundamentals / 3.2.1:
Transformation Method / 3.2.2:
Generalized Transformation Method / 3.2.3:
Rejection Method / 3.2.4:
Multivariate Gaussian Distribution / 3.2.5:
Equidistribution in Orientation Space / 3.2.6:
Random Sequences / 3.3:
Markov Processes / 3.3.1:
Autoregressive Processes / 3.3.3:
Wiener-Levy Process / 3.3.4:
Markov Chains and the Monte Carlo method / 3.3.5:
Stochastic Optimization / 3.4:
Simulated Annealing / 3.4.1:
Genetic Algorithms / 3.4.2:
Everything Flows / II:
Ordinary Differential Equations / 4:
Initial Value Problems of First Order / 4.1:
Euler-Cauchy Algorithm / 4.1.1:
Stability and Accuracy of Difference Schemes / 4.1.2:
Explicit Methods / 4.1.3:
Implicit Methods / 4.1.4:
Predictor-Corrector Method / 4.1.5:
Runge-Kutta Method / 4.1.6:
Extrapolation Method / 4.1.7:
Initial Value Problems of Second Order / 4.2:
Verlet Method / 4.2.1:
Nordsieck Formulation of the PC Method / 4.2.2:
Symplectic Algorithms / 4.2.4:
Numerov's Method / 4.2.6:
Boundary Value Problems / 4.3:
Shooting Method / 4.3.1:
Relaxation Method / 4.3.2:
Partial Differential Equations / 5:
Initial Value Problems I (Hyperbolic) / 5.1:
FTCS Scheme; Stability Analysis / 5.1.1:
Lax Scheme / 5.1.2:
Leapfrog Scheme (LF) / 5.1.3:
Lax-Wendroff Scheme (LW) / 5.1.4:
Lax and Lax-Wendroff in Two Dimensions / 5.1.5:
Initial Value Problems II (Parabolic) / 5.2:
FTCS Scheme / 5.2.1:
Implicit Scheme of First Order / 5.2.2:
Crank-Nicholson Scheme (CN) / 5.2.3:
Dufort-Frankel Scheme (DF) / 5.2.4:
Boundary Value Problems: Elliptic DE / 5.3:
Relaxation and Multigrid Techniques / 5.3.1:
ADI Method for the Potential Equation / 5.3.2:
Fourier Transform Method (FT) / 5.3.3:
Cyclic Reduction (CR) / 5.3.4:
Anchors Aweigh / III:
Simulation and Statistical Mechanics / 6:
Model Systems of Statistical Mechanics / 6.1:
A Nutshellfull of Fluids and Solids / 6.1.1:
Tricks of the Trade / 6.1.2:
Monte Carlo Method / 6.2:
Molecular Dynamics Simulation / 6.3:
Hard Spheres / 6.3.1:
Continuous Potentials / 6.3.2:
Beyond Basic Molecular Dynamics / 6.3.3:
Evaluation of Simulation Experiments / 6.4:
Pair Correlation Function / 6.4.1:
Autocorrelation Functions / 6.4.2:
Particles and Fields / 6.5:
Ewald summation / 6.5.1:
Particle-Mesh Methods (PM and P3M) / 6.5.2:
Stochastic Dynamics / 6.6:
Quantum Mechanical Simulation / 7:
Diffusion Monte Carlo (DMC) / 7.1:
Path Integral Monte Carlo (PIMC) / 7.2:
Wave Packet Dynamics (WPD) / 7.3:
Density Functional Molecular Dynamics (DFMD) / 7.4:
Hydrodynamics / 8:
Compressible Flow without Viscosity / 8.1:
Explicit Eulerian Methods / 8.1.1:
Particle-in-Cell Method (PIC) / 8.1.2:
Smoothed Particle Hydrodynamics (SPH) / 8.1.3:
Incompressible Flow with Viscosity / 8.2:
Vorticity Method / 8.2.1:
Pressure Method / 8.2.2:
Free Surfaces: Marker-and-Cell Method (MAC) / 8.2.3:
Lattice Gas Models for Hydrodynamics / 8.3:
Lattice Gas Cellular Automata / 8.3.1:
The Lattice Boltzmann Method / 8.3.2:
Direct Simulation Monte Carlo / Bird method / 8.4:
Appendixes
Machine Errors / A:
Discrete Fourier Transformation / B:
Fast Fourier Transform (FFT) / B.1:
Bibliography
Index
The Three Pillars of Computational Physics / I:
Finite Differences / 1:
Interpolation Formulae / 1.1:
3.

図書

図書
R.H. Wagoner, J.-L. Chenot
出版情報: Cambridge : Cambridge University Press, 2001  xiii, 376 p. ; 27 cm
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4.

図書

図書
I.M. Khabaza
出版情報: Oxford : Pergamon Press, 1965  xii, 242 p. ; 20 cm
シリーズ名: The commonwealth and international library ; . Higher mathematics for scientists and engineers
The commonwealth and international library of science, technology, engineering and liberal studies ; 310
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5.

図書

図書
editors, Jesús Clemente-Gallardo ... [et al.]
出版情報: Melville, N.Y. : American Insitute of Physics, c2006  xi, 204 p. ; 25 cm
シリーズ名: AIP conference proceedings ; no. 851
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目次情報: 続きを見る
Foreword
Preface
Role of Fluctuations in Quinone Reductase Hydride Transfer: A Combined Quantum Mechanics and Molecular Dynamics Study / G. Cavelier ; L. M. Amzel
Ligand Binding, Protein Fluctuations, and Allosteric Free Energy / M. E. Wall
Ligand Docking and Virtual Screening in Structure-Based Drug Discovery / C. N. Cavasotto
The Mechanical Opening of DNA and the Sequence Content / S. Cocco ; R. Monasson
Structural Bioinformatics: Advances and Applications / A. Giorgetti ; D. Raimondo ; A. Tramontano
Single-Domain Protein Folding: A Multi-Faceted Problem / I. Junier ; F. Ritort
Active Sites by Computational Protein Design / P. Tortosa ; A. Jaramillo
The Effects of H-Bond Cooperativity upon the Secondary Structures of Peptides / J. J. Dannenberg
Effects of Constraints in General Branched Molecules: A Quantitative ab initio Study in HCO-L-Ala-NH[subscript 2] / P. Echenique ; J. L. Alonso ; I. Calvo
Multiscale Modeling of Tumor Cell Migration / M. H. Zaman
Variable-Barrier Modeling of Equilibrium Protein Folding / J. M. Sanchez-Ruiz
FurA from Anabaena PCC 7120: New Insights on Its Regulation and the Interaction with DNA / J. A. Hernandez ; S. Lopez-Gomollon ; S. Pellicer ; B. Martin ; E. Sevilla ; M. T. Bes ; M. L. Peleato ; M. F. Fillat
Analysis of Apoflavodoxin Folding Behavior with Elastic Network Models / M. Cotallo-Aban ; D. Prada-Gracia ; J. J. Mazo ; P. Buscolini ; F. Falo ; J. Sancho
Current Trends in the Modeling of Biological Networks / Y. Moreno ; L. M. Floria ; J. Gomez-Gardenes
Unspecific Cooperative Ligand Binding to One-Dimensional Lattice-Like Macromolecules / A. Velazquez-Campoy
New Computational Approaches for NMR-Based Drug Design: A Protocol for Ligand Docking to Flexible Target Sites / L. Gracia ; J. A. Speidel ; H. Weinstein
Sequence and Phylogenetic Analysis of FAD Synthetase / L. Schubert ; S. Frago ; M. Martinez-Julvez ; M. Medina
Tissue-Specific Ctrl Gene Expression and in silico Analysis of its Putative Protein Product / S. A. Samsonov ; E. Nordlund ; N. A. Platonova ; A. N. Skvortsov ; N. V. Tsymbalenko ; L. V. Puchkova
A Particle-Based Implicit Solvent Model for Biomolecular Simulations / N. Basdevant ; T. Ha-Duong ; D. Borgis
Mechanisms of Metal Ion Activation of the Diphtheria Toxin Repressor DtxR / J. A. D'Aquino ; D. Ringe
List of Participants
Author Index
Foreword
Preface
Role of Fluctuations in Quinone Reductase Hydride Transfer: A Combined Quantum Mechanics and Molecular Dynamics Study / G. Cavelier ; L. M. Amzel
6.

図書

図書
Alfio Quarteroni, Riccardo Sacco, Fausto Saleri
出版情報: New York : Springer, c2000  xx, 654 p. ; 24 cm
シリーズ名: Texts in applied mathematics ; 37
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7.

図書

図書
Jens A. Jensen, John H. Rowland
出版情報: Glenview, Ill. : Scott, Foresman, [1975]  303 p. ; 24 cm
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8.

図書

図書
editors, S.K. Neogy, A.K. Das, R.B. Bapat
出版情報: Toh Tuck Link, Singapore : World Scientific, c2009  xvii, 330 p. ; 24 cm
シリーズ名: Platinum jubilee series ; Statistical science and interdisciplinary research ; v. 6
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目次情報: 続きを見る
Foreword
Preface
Acknowledgments
Modeling a Jamming Game for Wireless Networks / Andrey Garnaev1:
Existence of Nash Networks in the One-way Flow Model of Network Formation / J. Derks ; J. Kuipers ; M. Tennekes ; F. Thuijsman2:
Strategic Advertisement with Externalities: A New Dynamic Approach / Reinoud Joosten3:
Connections between Some Concepts in Reliability and Economics / Subhash Kochar ; Maochao Xu4:
A New Axiomatization of the Shapley Value for TU-games in terms of Semi-null Players Applied to 1-concave Games / Theo S.H. Driessen5:
Coextrema Additive Operators / Atsushi Kajii ; Hiroyuki Kojima ; Takashi Ui6:
Models without Main Players / T. S. Arthanari7:
Dynamic Optimal Advertising Expenditure Strategies for Two Successive Generations of High Technology Products / Udayan Chanda ; A. K. Bardhan8:
Nonconvex Vector Minimization with Set Inclusion Constraint / Anjana Gupta ; Aparna Mehra ; Davinder Bhatia9:
Approximate Optimality in Semi Infinite Programming / Deepali Gupta10:
A Relaxation Based Solution Approach for the Inventory Control and Vehicle Routing Problem in Vendor Managed Systems / O&gbrave;uz Solyah ; Haldun Süral11:
The Distribution of Deficit at Ruin on a Renewal Risk Model / K. K. Thampi ; M. J. Jacob12:
Fair Allocations to Discourage Free Riding Behavior / Kim Hang Pham Do ; Henk Folmer13:
A Stackelberg Differential Game with Overlapping Generations for the Management of a Renewable Resource / Luca Grilli14:
Bender's Partitioning Approach for Solving the Optimal Communication Spanning Tree Problem / Yogesh K. Agarwal ; Prabha Sharma15:
Sperner's Lemma with Multiple Labels / R. B. Bapat16:
Incremental Twin Support Vector Machines / Reshma Khemchandoni Jayadeva ; Suresh Chandra17:
Portfolio Risk Management Using Support Vector Machine / Sanjeet Singh18:
Weak Convergence of an Iterative Scheme with a Weaker Coefficient Condition / Yasunori Kimura19:
Complementarity Modeling and Game Theory: A Survey / S. K. Neogy ; A. K. Das20:
Foreword
Preface
Acknowledgments
9.

図書

図書
edited by Felipe Cucker ... [et al.]
出版情報: Cambridge : Cambridge University Press, 2004  viii, 206 p. ; 23 cm
シリーズ名: London Mathematical Society lecture note series ; 312
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Preface
Some fundamental issues / R. DeVore1:
Jacobi sets / H. Edelsbrunner ; J. Harer2:
Approximation of boundary element operators / S. Borm ; W. Hackbusch3:
Quantum complexity / S. Heinrich4:
Straight-line programs / T. Krick5:
Numerical solution of structured problems / T. Apel ; V. Mehrmann ; D. Watkins6:
Detecting infeasibility / M. J. Todd7:
Maple packages and Java applets / I. M. Anderson8:
Preface
Some fundamental issues / R. DeVore1:
Jacobi sets / H. Edelsbrunner ; J. Harer2:
10.

図書

図書
Peter Deuflhard
出版情報: Berlin ; Tokyo : Springer, c2004  xii, 424 p. ; 24 cm
シリーズ名: Springer series in computational mathematics ; 35
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目次情報: 続きを見る
Outline of Contents
Introduction / 1:
Newton-Raphson Method for Scalar Equations / 1.1:
Newton's Method for General Nonlinear Problems / 1.2:
Classical convergence theorems revisited / 1.2.1:
Affine invariance and Lipschitz conditions / 1.2.2:
The algorithmic paradigm / 1.2.3:
A Roadmap of Newton-type Methods / 1.3:
Adaptive Inner Solvers for Inexact Newton Methods / 1.4:
Residual norm minimization: GMRES / 1.4.1:
Energy norm minimization: PCG / 1.4.2:
Error norm minimization: CGNE / 1.4.3:
Error norm reduction: GBIT / 1.4.4:
Linear multigrid methods / 1.4.5:
Exercises
Algebraic Equations / Part I:
Systems of Equations: Local Newton Methods / 2:
Error Oriented Algorithms / 2.1:
Ordinary Newton method / 2.1.1:
Simplified Newton method / 2.1.2:
Newton-like methods / 2.1.3:
Broyden's 'good' rank-1 updates / 2.1.4:
Inexact Newton-ERR methods / 2.1.5:
Residual Based Algorithms / 2.2:
Broyden's 'bad' rank-1 updates / 2.2.1:
Inexact Newton-RES method / 2.2.4:
Convex Optimization / 2.3:
Inexact Newton-PCG method / 2.3.1:
Systems of Equations: Global Newton Methods / 3:
Globalization Concepts / 3.1:
Componentwise convex mappings / 3.1.1:
Steepest descent methods / 3.1.2:
Trust region concepts / 3.1.3:
Newton path / 3.1.4:
Residual Based Descent / 3.2:
Affine contravariant convergence analysis / 3.2.1:
Adaptive trust region strategies / 3.2.2:
Error Oriented Descent / 3.2.3:
General level functions / 3.3.1:
Natural level function / 3.3.2:
Convex Functional Descent / 3.3.3:
Affine conjugate convergence analysis / 3.4.1:
Least Squares Problems: Gauss-Newton Methods / 3.4.2:
Linear Least Squares Problems / 4.1:
Unconstrained problems / 4.1.1:
Equality constrained problems / 4.1.2:
Local Gauss-Newton methods / 4.2:
Global Gauss-Newton methods / 4.2.2:
Adaptive trust region strategy / 4.2.3:
Local convergence results / 4.3:
Local Gauss-Newton algorithms / 4.3.2:
Global convergence results / 4.3.3:
Adaptive rank strategies / 4.3.4:
Underdetermined Systems of Equations / 4.4:
Local quasi-Gauss-Newton method / 4.4.1:
Global Gauss-Newton method / 4.4.2:
Parameter Dependent Systems: Continuation Methods / 5:
Newton Continuation Methods / 5.1:
Classification of continuation methods / 5.1.1:
Affine covariant feasible stepsizes / 5.1.2:
Adaptive pathfollowing algorithms / 5.1.3:
Gauss-Newton Continuation Method / 5.2:
Discrete tangent continuation beyond turning points / 5.2.1:
Adaptive stepsize control / 5.2.2:
Computation of Simple Bifurcations / 5.3:
Augmented systems for critical points / 5.3.1:
Newton-like algorithm for simple bifurcations / 5.3.2:
Branching-off algorithm / 5.3.3:
Differential Equations / Part II:
Stiff ODE Initial Value Problems / 6:
Affine Similar Linear Contractivity / 6.1:
Nonstiff versus Stiff Initial Value Problems / 6.2:
Picard iteration versus Newton iteration / 6.2.1:
Newton-type uniqueness theorems / 6.2.2:
Uniqueness Theorems for Implicit One-step Methods / 6.3:
Pseudo-transient Continuation for Steady State Problems / 6.4:
Exact pseudo-transient continuation / 6.4.1:
Inexact pseudo-transient continuation / 6.4.2:
ODE Boundary Value Problems / 7:
Multiple Shooting for Timelike BVPs / 7.1:
Cyclic linear systems / 7.1.1:
Realization of Newton methods / 7.1.2:
Realization of continuation methods / 7.1.3:
Parameter Identification in ODEs / 7.2:
Periodic Orbit Computation / 7.3:
Single orbit computation / 7.3.1:
Orbit continuation methods / 7.3.2:
Fourier collocation method / 7.3.3:
Polynomial Collocation for Spacelike BVPs / 7.4:
Discrete versus continuous solutions / 7.4.1:
Quasilinearization as inexact Newton method / 7.4.2:
PDE Boundary Value Problems / 8:
Asymptotic Mesh Independence / 8.1:
Global Discrete Newton Methods / 8.2:
General PDEs / 8.2.1:
Elliptic PDEs / 8.2.2:
Inexact Newton Multilevel FEM for Elliptic PDEs / 8.3:
Local Newton-Galerkin methods / 8.3.1:
Global Newton-Galerkin methods / 8.3.2:
References
Software
Index
Outline of Contents
Introduction / 1:
Newton-Raphson Method for Scalar Equations / 1.1:
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