2026 (Current Year) Faculty Courses School of Materials and Chemical Technology Department of Materials Science and Engineering Graduate major in Materials Science and Engineering
Advanced Course for Functional Materials
- Academic unit or major
- Graduate major in Materials Science and Engineering
- Instructor(s)
- Masaki Azuma / Hena Das
- Class Format
- Lecture (Livestream)
- Media-enhanced courses
- -
- Day of week/Period
(Classrooms) - 3-4 Tue (G1-106) / 3-4 Fri (G1-106)
- Class
- -
- Course Code
- MAT.C513
- Number of credits
- 100
- Course offered
- 2026
- Offered quarter
- 2Q
- Syllabus updated
- Jul 7, 2026
- Language
- English
Syllabus
Course overview and goals
This is an introductory course on materials science (solid state physics), with emphasis on the crystal structure, physical properties of materials and the density functional theory (DFT) calculations.
Students can enhance their knowledge of the physics for material research and learn about some recent research examples of functional materials.
Course description and aims
By the end of this course, students will be able to:
1) Understand the relations between various functions of transition metal oxides and charge, spin and orbital degree of freedoms.
2) Understand the basics and applications of crystallography.
3) Understand the basic DFT calculations.
Keywords
functional materials, transition metal oxides, crystal structure, DFT calculations
Competencies
- Specialist skills
- Intercultural skills
- Communication skills
- Critical thinking skills
- Practical and/or problem-solving skills
Class flow
This course is mainly composed of lectures.
Course schedule/Objectives
| Course schedule | Objectives | |
|---|---|---|
| Class 1 | Introduction to Transition Metal Oxides 1 |
Study the relation between various functions of |
| Class 2 | Introduction to Transition Metal Oxides 2 |
Study the relation between various functions of |
| Class 3 | Description of Crystal Structure 1 |
Draw a crystal structure based on the structural |
| Class 4 | Description of Crystal Structure 2 |
Draw a crystal structure based on the structural |
| Class 5 | Fundamental concept of Density functional theory (DFT) and its development |
In the first lecture, we plan to outline the historical development of DFT and the basic concepts underlying this theory. The various forms of exchange-correlation functional and their comparative review will be presented here. |
| Class 6 | Applications of DFT in Materials simulations I |
In the second and third lectures, we shall discuss the plane-wave pseudopotential technique, which is one of the most successful techniques to employ DFT for practical calculations. Next, we shall elaborate upon various applications of DFT in materials simulation. |
| Class 7 | Applications of DFT in Materials simulations II |
In the second and third lectures, we shall discuss the plane-wave pseudopotential technique, which is one of the most successful techniques to employ DFT for practical calculations. Next, we shall elaborate upon various applications of DFT in materials simulation. |
| Class 8 | limitations of DFT and beyond DFT approaches |
In the final lecture, we shall continue discussion on the applications of DFT in materials simulation. The presentation will be concluded with a discussion on various limitations of DFT and post-DFT methods. |
Study advice (preparation and review)
To enhance effective learning, students are encouraged to spend approximately 100 minutes preparing for class and another 100 minutes reviewing class content afterwards (including assignments) for each class.
They should do so by referring to textbooks and other course material.
Textbook(s)
Text book specified by the instructor.
Reference books, course materials, etc.
None required.
Evaluation methods and criteria
Reports.
Related courses
- MAT.C502 ： Advanced Course of Material Development I
Prerequisites
None