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ii 9 Boundary Conditions 9.1 Outer boundary of the device structure 9.1.1 Natural boundary 9.1.2 Ohmic contacts 9.1.3 Gate contacts 9.2 Semiconductor-Insulator Interface 9.3 Exercise: 1D Shockley equations (PN junction diode) 34 34 34 35 37 37 39 10 Automatic Differentation 10.1 Computation Graph 10.2 Forward- and Backward-Accumulation 10.3 Operator Overloading 10.4 Further Readings 40 41 42 43 44 11 Circuit Simulation 11.1 KCL and Nodal Analysis 11.1.1 Independent Voltage Source and Auxiliary Variable 11.2 Circuit Elements 11.2.1 Resistor 11.2.2 Capacitor 11.2.3 Inductor 11.2.4 Diode 11.2.5 MOSFET 11.2.6 Others 11.3 Summary 11.4 Exercise 45 45 46 46 46 46 47 47 48 48 48 48 12 Floating-Point Rounding Error 12.1 IEEE 754 Standard for Floating-Point Arithmetics 12.2 Examples of Rounding Error 12.3 Function Evaluation to Machine Precision 12.4 High Precision and Adaptive Precision Arithmetics 12.5 Variable Scaling 49 49 50 51 51 52 13 Linear Solvers and Conditioning 13.1 Direct Solvers based on LU Decomposition 13.2 Iterative Solvers 13.2.1 Condition Number 13.3 Direct Solvers Based on Multi-Frontal Method 13.4 Condition Number of Shockley Equations 54 54 54 55 56 56 A 58 Reading Mathematical Expressions