| Preface | p. ix |
| Acknowledgements | p. xi |
| Frontiers in device engineering | p. 1 |
| Introduction | p. 1 |
| Example: Optimal design of atomic clusters | p. 3 |
| Design in the age of quantum technology | p. 6 |
| Exploring nonintuitive design space | p. 14 |
| Mathematical formulation of optimal device design | p. 15 |
| Local optimization using the adjoint method | p. 18 |
| Global optimization | p. 21 |
| Summary | p. 28 |
| References | p. 29 |
| Atoms-up design | p. 32 |
| Manmade nanostructures | p. 32 |
| Long-range tight-binding model | p. 35 |
| Target functions and convergence criterion | p. 36 |
| Atoms-up design of tight-binding clusters in continuous configuration space | p. 38 |
| Optimal design in discrete configuration space | p. 42 |
| Optimization and search algorithms | p. 45 |
| Summary | p. 48 |
| References | p. 49 |
| Electron devices and electron transport | p. 51 |
| Introduction | p. 51 |
| Elastic electron transport and tunnel current | p. 57 |
| Local optimal device design using elastic electron transport and tunnel current | p. 61 |
| Inelastic electron transport | p. 71 |
| Summary | p. 85 |
| References | p. 86 |
| Aperiodic dielectric design | p. 88 |
| Introduction | p. 88 |
| Calculation of the scattered field | p. 89 |
| Optimization | p. 91 |
| Results | p. 93 |
| Efficient local optimization using the adjoint method | p. 103 |
| Finite difference frequency domain electromagnetic solver | p. 104 |
| Cost functional | p. 107 |
| Gradient-based optimization using the adjoint method | p. 108 |
| Results and comparison with experiment | p. 109 |
| References | p. 120 |
| Design at the classical-quantum boundary | p. 123 |
| Introduction | p. 123 |
| Non-local linear response theory | p. 124 |
| Dielectric response of a diatomic molecule | p. 126 |
| Dielectric response of small clusters | p. 129 |
| Dielectric response of a metallic rod | p. 135 |
| Response of inhomogeneous structures | p. 137 |
| Optimization | p. 141 |
| Summary and outlook | p. 147 |
| References | p. 147 |
| Robust optimization in high dimensions | p. 149 |
| Introduction | p. 149 |
| Unconstrained robust optimization | p. 152 |
| Constrained robust optimization | p. 170 |
| References | p. 186 |
| Mathematical framework for optimal design | p. 189 |
| Introduction | p. 189 |
| Constrained local optimal design | p. 194 |
| Local optimal design of an electronic device | p. 204 |
| Techniques for global optimization | p. 228 |
| Database of search iterations | p. 237 |
| Summary | p. 244 |
| References | p. 244 |
| Future directions | p. 246 |
| Introduction | p. 246 |
| Example: System complexity in a small laser | p. 247 |
| Sensitivity to atomic configuration | p. 251 |
| Realtime optimal design of molecules | p. 257 |
| The path to quantum engineering | p. 258 |
| Summary | p. 259 |
| References | p. 260 |
| Global optimization algorithms | p. 262 |
| Introduction | p. 262 |
| Tabu search | p. 262 |
| Particle swarm algorithm | p. 263 |
| Simulated annealing | p. 265 |
| Two-phased algorithms | p. 268 |
| Clustering algorithms | p. 269 |
| Global optimization based on local techniques | p. 272 |
| Global smoothing | p. 273 |
| Stopping rules | p. 274 |
| References | p. 275 |
| About the authors | p. 277 |
| Index | p. 281 |
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