2026Year

First Semester

Computational Condensed Matter Physics

Lecture

Computational Condensed Matter Physics

Z0700012 Computational Condensed Matter Physics

YAYAMA Tomoe

2.0Credits

Wed.5Period

Hachioji Campus

1W-027講義室

A) A high degree of specialized expertise　100%
B) The skills to use science and technology　0%
C) The ability to conduct research independently, knowledge pertaining to society and occupations, and sense of ethics required of engineers and researchers　0%
D) Creative skills in specific areas of specialization　0%

Understanding physical properties based on quantum theory is essential for the material design and development of modern equipment, including electronic and optical devices.
This course covers various theoretical methods, including first-principles calculations and molecular dynamics, to understand their applications in materials science and to master the following topics.
1. Acquire a fundamental understanding of computational condensed matter physics based on many-body quantum mechanics.
2. Deepen the understanding of condensed matter physics through the application of computational methods.

Students are expected to have a basic knowledge of quantum mechanics and thermal/statistical mechanics, along with an interest in numerical calculation methods.
Completion of Quantum Mechanics I, II, and Quantum Physics is preferred (not mandatory).

Not used

1. Schrödinger equation: Wavefunctions and energy levels
2. Variational principle and one-electron approximation
3. Hartree-Fock equation
4. Exchange integral
5. Density Functional Theory: Hohenberg-Kohn theorem
6. Density Functional Theory: Kohn-Sham equations
7. Band theory: Quantum states in periodic systems
8. Density of states (DOS) and charge density distribution
9. Numerical calculation methods at various scales
10. Construction of crystal models
11. Procedures for band structure calculations
12. Data analysis
13. Methodology for report writing
14. Summary of course content
15. Review of learning outcomes

Evaluation will be based on numerical calculation assignments and reports on theory.
Grades are assigned from A+ to F, with a grade of D or higher required to pass.
Students who miss four or more lectures will not be eligible for evaluation.

Feedback on the reports will be provided.

前園 涼、 市場 友宏 著、「動かして理解する 第一原理電子状態計算(第2版): DFTパッケージによるチュートリアル」

Please make an appointment.
yayama.tomoe@cc.kogakuin.ac.jp

理論計算の手法は物理学そのものへの理解を深めるために有効です。
数値計算の素養を身に着けることは、自分の専門が理論計算である場合だけでなく、
実験を主として行う場合にもず役に立つ場面があると思います。
ぜひ興味を持って受講してください。

Not applicable

Electrical Engineering and Electronics Program