2020 Practice School in Materials Informatics I A

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Academic unit or major
Tokyo Tech Academy for Convergence of Materials and Informatics
Shimoyama Yusuke  Kobayashi Yoshinao  Matsumoto Hideyuki  Matsushita Yu-Ichiro  Yasuo Nobuaki  Kawauchi Susumu 
Class Format
Media-enhanced courses
Day/Period(Room No.)
Intensive ()  
Course number
Academic year
Offered quarter
Syllabus updated
Lecture notes updated
Language used
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Course description and aims

In this course, students learn about the principles of calculation and computer simulation related to modeling, which are important for designing functional materials in industry and chemical industry related to materials and information, or in the construction of material manufacturing processes. The aim is to understand how to design functional materials and how to optimize the manufacturing process. In addition, the group working aims to develop the communication skills necessary for research and development by working in groups in order to solve these issues.

Student learning outcomes

In the design of functional materials that make full use of knowledge and technology related to materials and information, it is essential to utilize processing technology of information related to the structure and physical properties of chemical substances. The purpose of this course is to conduct exercises using modeling, simulation, and information processing, to optimize the operating conditions in chemical processes, and to learn how to design functional materials.


materials and informatics; modeling; computer simulation; material design

Competencies that will be developed

Specialist skills Intercultural skills Communication skills Critical thinking skills Practical and/or problem-solving skills

Class flow

This course will set themes for actual process and functional materials in the chemical industry, and will conduct exercises on modeling, computer simulation and information processing for each group. Finally the group will present the results of the exercise.

Course schedule/Required learning

  Course schedule Required learning
Class 1 1) Set up specific exercises on the design of chemical substances or functional materials. 2) Investigate the principles and calculation methods for modeling such as quantum chemical calculation, molecular simulation and machine learning. 3) Design the chemical substance or material type using the modeling method of 2). 4) Give a presentation on the results obtained in the exercises 2) and 3). Report on exercises and simulation results by modeling materials and informatics



Reference books, course materials, etc.

Distribute in the class

Assessment criteria and methods

Regarding the degree of goal achievement, students will make a presentation on exercises using modeling and computer simulation, and in the content of presentation of results and contents of questions and answers. And then, the presentation and the exercise results will be scored on the task extraction ability and problem solving ability in the academic field or the industrial field.

Related courses

  • TCM.B602 : Practice School in Materials Informatics II

Prerequisites (i.e., required knowledge, skills, courses, etc.)

Take classes of both Practice School in Materials Informatics I and II.
If only one is taken, the other credit have to be already acquired.


Limit to TAC-MI(Tokyo Tech Academy for Convergence of Materials and Informatics) students.

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