Course Title : Seminar: Dynamics of Atomic Systems

Code 10Q610
Course Year Master and Doctor Course
Term 1st term
Class day & Period Tue 5th
Location C3-Lecture Room 1
Credits 2
Restriction No Restriction
Lecture Form(s) Lecture + Exercise
Language Japanese and English
Instructor M. Matsumoto, M. Nishikawa, R. Matsumoto, T. Shimada, Y. Inoue

Course Description

Particle simulations are a tool of analyzing microscopic phenomena, and widely used in various fields of science and engineering. After providing the basics of particle simulation methods through lectures and exercises, we show various practical applications in thermofluids, solid materials, biophysics, and quantum systems.

Grading

Reports, presentation/discussion

Course Goals

- Understanding the basics of particle simulations - Mastering data analysis techniques

Course Topics

Theme Class number of times Description
Basics of MD simulations (M.Matsumoto) 6 - Numerical simulation of equations of motion
- Model potentials
- Data analysis
- Equilibrium vs. non-equilibrium
Application: Thermofluidal systems (M. Matsumoto) 2 - Lennard-Jones fluids
- Interface, phase change, energy transport, etc.
Application: Polymeric materials (Nishikawa) 2 - Fundamentals on mechanical (viscoelastic) properties of polymer materials
- Application of molecular dynamics method of polymer materials
Application: Biosystems (Inoue) 1 - MD simulation of biomolecular systems
- Recent examples
Application: Solid systems (R. Matsumoto) 1 - Deformation and destruction
- Alternative methods
Application: Quantum systems (Shimada) 2 - First principle MD
- Mechanical and electronic properties on nanoscale
Check and Feedback 1

Textbook

Textbook(supplemental)

Prerequisite(s)

Elementary Level of
Analytical mechanics, Quantum mechanics, Material science, Thermodynamics, Statistical physics, Numerical analysis

Independent Study Outside of Class

Web Sites

Additional Information