Computational Materials Science 2026 Q2
2026年度Q2 計算材料学特論 (資料: 英語+日本語版)

Lecture materials for numerical analyses (by Kamiya)
数値解析に関する講義資料・pythonプログラム (神谷担当分)

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FY2026

#03 June 23, 2026: Smoothing (平滑化), Linear least-squares method (線形最小二乗法), Solusion of equation (方程式の解法)

Course materials (Lecture slides and python programs):

5-8min audio guide:

#03 June 19, 2026: Differential equation (微分方程式), Interpolation (補間), Smoothing (平滑化)

Course materials (Lecture slides and python programs):

5-8min audio guide:

#02 June 16, 2026: Numerical differentiation (数値微分), Numerical integration(数値積分), Differential equation (微分方程式)

Course materials (Lecture slides and python programs):

5-8min audio guide:

#01 June 12, 2026: Fundamentals of computer (コンピュータの基礎), Sources of error (誤差), Numerical differentiation (数値微分)

Course materials (Lecture slides and python programs):

5-8min audio guide:


python programs (everything in the course_materials.zip)

Fundamentals of computer

Sources of error

Differentiation

Numerical integration

Differential equation

Second-order differential equation

Simultaneous second-order differential equations

Interpolation

Smoothing


Linear least squares method


FY2025

#05 June 27, 2024: Numerical solution of equation/Optimization (Nonlinear LSQ) (方程式の数値解法/最適化 (非線形最小二乗法))

Lecture materials: June 27, 2025 20:25 updated: 20250627EquationOptimize2.zip
python programs: Numerical solution of equations
python programs: Nonlinear optimization

#06 July 1, 2025: Fourier transform (フーリエ変換), Matrix (行列), Applications (その他応用)

教科書2025年度版 (日本語)

  1. コンピュータの基礎と誤差
  2. 数値微分、数値積分
  3. 微分方程式、補間、平滑化
Lecture materials: June 28, 2024 updated: 20240628FT_Matrix3.zip
python programs: Fourier transormation
python programs: Matrix
python programs: Applications
資料: Crystal.pdf