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📐 Introduction to Calculus and Vector Analysis

Calculus and Vector Analysis for Materials Informatics

📚 5 Chapters 💻 35 Code Examples ⏱️ 90-110 minutes 📊 Beginner
← Fundamentals of Mathematics Top

🎯 Series Overview

Calculus and vector analysis are the essential mathematical foundations for all areas of materials science, process engineering, and machine learning. This series covers single-variable and multivariable differential and integral calculus, vector fields, gradients, divergence, curl, line integrals, and surface integrals, with paired theory and implementation (Python/NumPy/SymPy).

Learning Path

flowchart LR A[Chapter 1
Differentiation & Integration] B[Chapter 2
Multivariable Calculus] C[Chapter 3
Vector Fields] D[Chapter 4
Gradient/Divergence/Curl] E[Chapter 5
Numerical Calculus] A --> B --> C --> D --> E style A fill:#667eea,stroke:#764ba2,stroke-width:2px,color:#fff style B fill:#667eea,stroke:#764ba2,stroke-width:2px,color:#fff style C fill:#667eea,stroke:#764ba2,stroke-width:2px,color:#fff style D fill:#667eea,stroke:#764ba2,stroke-width:2px,color:#fff style E fill:#667eea,stroke:#764ba2,stroke-width:2px,color:#fff

📋 Learning Objectives

  • Understand and implement differentiation and integration of single and multivariable functions
  • Understand the concepts and physical meaning of vector fields
  • Calculate and interpret gradients, divergence, and curl
  • Calculate and apply line integrals and surface integrals
  • Implement numerical and symbolic calculus using NumPy/SymPy

📖 Prerequisites

Basic knowledge of high school mathematics (Calculus III level) is sufficient. Understanding basic Python usage (variables, functions, lists) is recommended.

Chapter 1
Fundamentals of Differentiation and Numerical Differentiation

Learn from the definition of differentiation to calculation rules for derivatives and higher-order derivatives, and implement numerical differentiation using NumPy (forward difference, central difference, Richardson extrapolation). Applications to temperature dependence of material properties and reaction rate analysis are also introduced.

Definition of Differentiation Derivatives Numerical Differentiation Higher-Order Derivatives NumPy Implementation
💻 7 Code Examples ⏱️ 18-22 minutes
Read Chapter 1 →
Chapter 2
Fundamentals of Integration and Numerical Integration

Learn the definition of definite integrals, calculation of indefinite integrals, and the relationship between integration and differentiation (fundamental theorem of calculus), and implement numerical integration methods such as the trapezoidal rule, Simpson's rule, and Gaussian quadrature. Applications to heat calculation and spectral analysis are also covered.

Definite & Indefinite Integrals Fundamental Theorem Trapezoidal Rule Simpson's Rule SciPy Implementation
💻 7 Code Examples ⏱️ 18-22 minutes
Read Chapter 2 →
Chapter 3
Multivariable Calculus

Learn partial derivatives, total differentials, chain rule, and Jacobian matrices, and handle extremum problems of multivariable functions (Lagrange multipliers). Multiple integrals (double integrals, triple integrals) and variable transformations (polar, cylindrical, spherical coordinates) are also implemented.

Partial Derivatives Total Differential Jacobian Matrix Multiple Integrals Extremum Problems
💻 7 Code Examples ⏱️ 18-22 minutes
Read Chapter 3 →
Chapter 4
Vector Fields and Differential Operators

Learn the concept of vector fields, definitions and physical meanings of gradient (grad), divergence (div), and curl (rot). Implementation of Laplacian, vector field visualization, and determination of conservative fields and potential functions.

Vector Fields Gradient (grad) Divergence (div) Curl (rot) Laplacian
💻 7 Code Examples ⏱️ 18-22 minutes
Read Chapter 4 →
Chapter 5
Line Integrals, Surface Integrals, and Integral Theorems

Learn calculation methods for line integrals (scalar and vector fields) and surface integrals (scalar and vector fields). Understand Green's theorem, Gauss's divergence theorem, and Stokes' theorem, and implement applications to electromagnetism and fluid dynamics.

Line Integrals Surface Integrals Green's Theorem Divergence Theorem Stokes' Theorem
💻 7 Code Examples ⏱️ 18-22 minutes
Read Chapter 5 →

📚 Recommended Learning Paths

Pattern 1: Beginner - Theory and Practice Balanced (5-7 days)

Pattern 2: Intermediate - Fast Track (3 days)

Pattern 3: Topic-Focused - Computational Skills (1 day)

🎯 Overall Learning Outcomes

Upon completing this series, you will achieve:

Knowledge Level

Practical Skills

Application Ability

🛠️ Technologies and Tools Used

Main Libraries

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🚀 Next Steps

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