| The Three Pillars of Computational Physics | p. 1 |
| Finite Differences | p. 7 |
| Interpolation Formulae | p. 9 |
| NGF Interpolation | p. 9 |
| NGB Interpolation | p. 10 |
| ST Interpolation | p. 11 |
| Difference Quotients | p. 12 |
| DNGF Formulae | p. 12 |
| DNGB Formulae | p. 14 |
| DST Formulae | p. 15 |
| Finite Differences in Two Dimensions | p. 17 |
| Sample Applications | p. 18 |
| Classical Point Mechanics | p. 18 |
| Diffusion and Thermal Conduction | p. 19 |
| Linear Algebra | p. 21 |
| Exact Methods | p. 22 |
| Gauss Elimination and Back Substitution | p. 22 |
| Simplifying Matrices: The Householder Transformation | p. 25 |
| LU Decomposition | p. 26 |
| Tridiagonal Matrices: Recursion Method | p. 29 |
| Iterative Methods | p. 31 |
| Jacobi Relaxation | p. 32 |
| Gauss-Seidel Relaxation (GSR) | p. 34 |
| Successive Over-Relaxation (SOR) | p. 34 |
| Alternating Direction Implicit Method (ADI) | p. 36 |
| Conjugate Gradient Method (CG) | p. 36 |
| Eigenvalues and Eigenvectors | p. 40 |
| Largest Eigenvalue and Related Eigenvector | p. 40 |
| Arbitrary Eigenvalue/-vector: Inverse Iteration | p. 42 |
| Sample Applications | p. 43 |
| Diffusion and Thermal Conduction | p. 43 |
| Potential Equation | p. 44 |
| Electronic Orbitals | p. 45 |
| Stochastics | p. 47 |
| Equidistributed Random Variates | p. 49 |
| Linear Congruential Generators | p. 49 |
| Shift Register Generators | p. 50 |
| Other Distributions | p. 53 |
| Fundamentals | p. 53 |
| Transformation Method | p. 56 |
| Generalized Transformation Method | p. 57 |
| Rejection Method | p. 59 |
| Multivariate Gaussian Distribution | p. 62 |
| Equidistribution in Orientation Space | p. 66 |
| Random Sequences | p. 68 |
| Fundamentals | p. 68 |
| Markov Processes | p. 71 |
| Autoregressive Processes | p. 74 |
| Wiener-Levy Process | p. 77 |
| Markov Chains and the Monte Carlo method | p. 78 |
| Stochastic Optimization | p. 80 |
| Simulated Annealing | p. 81 |
| Genetic Algorithms | p. 82 |
| Everything Flows | p. 85 |
| Ordinary Differential Equations | p. 89 |
| Initial Value Problems of First Order | p. 90 |
| Euler-Cauchy Algorithm | p. 90 |
| Stability and Accuracy of Difference Schemes | p. 91 |
| Explicit Methods | p. 94 |
| Implicit Methods | p. 96 |
| Predictor-Corrector Method | p. 98 |
| Runge-Kutta Method | p. 101 |
| Extrapolation Method | p. 104 |
| Initial Value Problems of Second Order | p. 105 |
| Verlet Method | p. 105 |
| Predictor-Corrector Method | p. 108 |
| Nordsieck Formulation of the PC Method | p. 110 |
| Runge-Kutta Method | p. 112 |
| Symplectic Algorithms | p. 112 |
| Numerov's Method | p. 117 |
| Boundary Value Problems | p. 119 |
| Shooting Method | p. 120 |
| Relaxation Method | p. 121 |
| Partial Differential Equations | p. 125 |
| Initial Value Problems I (Hyperbolic) | p. 129 |
| FTCS Scheme; Stability Analysis | p. 129 |
| Lax Scheme | p. 131 |
| Leapfrog Scheme (LF) | p. 133 |
| Lax-Wendroff Scheme (LW) | p. 135 |
| Lax and Lax-Wendroff in Two Dimensions | p. 135 |
| Initial Value Problems II (Parabolic) | p. 138 |
| FTCS Scheme | p. 138 |
| Implicit Scheme of First Order | p. 140 |
| Crank-Nicholson Scheme (CN) | p. 141 |
| Dufort-Frankel Scheme (DF) | p. 143 |
| Boundary Value Problems: Elliptic DE | p. 143 |
| Relaxation and Multigrid Techniques | p. 147 |
| ADI Method for the Potential Equation | p. 148 |
| Fourier Transform Method (FT) | p. 150 |
| Cyclic Reduction (CR) | p. 153 |
| Anchors Aweigh | p. 157 |
| Simulation and Statistical Mechanics | p. 161 |
| Model Systems of Statistical Mechanics | p. 164 |
| A Nutshellfull of Fluids and Solids | p. 164 |
| Tricks of the Trade | p. 168 |
| Monte Carlo Method | p. 171 |
| Molecular Dynamics Simulation | p. 175 |
| Hard Spheres | p. 175 |
| Continuous Potentials | p. 177 |
| Beyond Basic Molecular Dynamics | p. 178 |
| Evaluation of Simulation Experiments | p. 181 |
| Pair Correlation Function | p. 182 |
| Autocorrelation Functions | p. 184 |
| Particles and Fields | p. 185 |
| Ewald summation | p. 186 |
| Particle-Mesh Methods (PM and P3M) | p. 188 |
| Stochastic Dynamics | p. 191 |
| Quantum Mechanical Simulation | p. 195 |
| Diffusion Monte Carlo (DMC) | p. 196 |
| Path Integral Monte Carlo (PIMC) | p. 201 |
| Wave Packet Dynamics (WPD) | p. 209 |
| Density Functional Molecular Dynamics (DFMD) | p. 211 |
| Hydrodynamics | p. 215 |
| Compressible Flow without Viscosity | p. 216 |
| Explicit Eulerian Methods | p. 217 |
| Particle-in-Cell Method (PIC) | p. 218 |
| Smoothed Particle Hydrodynamics (SPH) | p. 220 |
| Incompressible Flow with Viscosity | p. 226 |
| Vorticity Method | p. 227 |
| Pressure Method | p. 229 |
| Free Surfaces: Marker-and-Cell Method (MAC) | p. 231 |
| Lattice Gas Models for Hydrodynamics | p. 232 |
| Lattice Gas Cellular Automata | p. 232 |
| The Lattice Boltzmann Method | p. 236 |
| Direct Simulation Monte Carlo / Bird method | p. 237 |
| Appendixes | p. 239 |
| Machine Errors | p. 241 |
| Discrete Fourier Transformation | p. 245 |
| Fundamentals | p. 245 |
| Fast Fourier Transform (FFT) | p. 246 |
| Bibliography | p. 249 |
| Index | p. 257 |
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