This course introduces the molecular interactions governing the structure of soft materials including liquid crystals, polymeric materials, and supermolecules. This lecture provides how to use quantum chemical calculations and exercises．
At the end of this course, students will be able to:
1) Explain kinds of molecular interactions and their origin based on quantum mechanics.
2) Explain how the molecular interactions act on the structure formation and control of soft materials.
3) Carry out the quantum chemistry calculations.
Soft materials, intermolecular interaction, intramolecular interaction, supermolecules, quantum chemical calculation
|✔ Specialist skills||Intercultural skills||Communication skills||Critical thinking skills||✔ Practical and/or problem-solving skills|
This course covers applications of quantum chemical calculations. Students report the related problems for understanding.
|Course schedule||Required learning|
|Class 1||Soft materials and molecular interactions||Explain soft materials and molecular interactions.|
|Class 2||Structure organization caused by intra- and intermolecular interactions||Explain structure organization caused by intra- and intermolecular interactions.|
|Class 3||Basics and methods of quantum chemical calculations: geometry optimization and frequency calculation||Explain methods of quantum chemical calculations.|
|Class 4||Quantum chemical calculations of intermolecular interaction||Carry out quantum chemical calculations on intermolecular interaction.|
|Class 5||Quantum chemical calculations of UV-Visible spectra||Carry out quantum chemical calculations of UV-Visible spectra.|
|Class 6||Exercise 1 of quantum chemical calculations||Carry out quantum chemical calculations on exercise.|
|Class 7||Exercise 2 of quantum chemical calculations||Carry out quantum chemical calculations on exercise.|
Reference notes will be presented via OCW-i before the respective classes.
Report will be assessed according to the fulfilment degrees of the respective subjects.
No prerequisites are necessary.