I open the class on Heat and Mass Transfer, Quantum and atomistic computer simulations of energy materials and Capstone Design in Chemical Engineering in the spring semester, 2023 (This course will be held in-person)

  -- Previous Teaching---

17. Mass Transfer (CHE3200-001)

• Undergraduate course at Department of Chemical Engineering at Inha University

• Fall semester, 2022

16. Numerical Analysis in Chemical Engineering (CHE3209-001)  

• Undergraduate course at Department of Chemical Engineering at Inha University

• Fall semester, 2022

15. Energy Conversion and Electro-chemistry (CCE7025-001)

• Graduate course at Department of Chemical Engineering at Inha University

• Fall semester, 2022

14. Introduction to Energy Conversion Engineering (IGH5063-001) (on-line)

• Graduate course at Department of Chemical Engineering at Inha University

• Spring semester, 2022

13. Heat Transfer (CHE3203-002,003) (on-line)

• Undergraduate course at Department of Chemical Engineering at Inha University

• Spring semester, 2022

12 . Mathematical Methods in Chemical Engineering (CHE1102-001) (on-line)

• Undergraduate course at Department of Chemical Engineering at Inha University

• Fall semester, 2021

11. Numerical Analysis in Chemical Engineering (CHE3209-001) (on-line)

• Undergraduate course at Department of Chemical Engineering at Inha University

• Fall semester, 2020

10 . Energy Conversion and Electro-chemistry (CCE7025-001) (on-line)

• Graduate course at Department of Chemical Engineering at Inha University

• Fall semester, 2021

9. Quantum and atomistic computer simulations of energy materials (on-line)

• Graduate course at Department of Chemical Engineering at Inha University

• Spring semester, 2021

8. Heat Transfer (CHE3203-002,003) (on-line)

• Undergraduate course at Department of Chemical Engineering at Inha University

• Spring semester, 2021

7. Mass Transfer (CHE3200-004, 003) (on-line)

• Undergraduate course at Department of Chemical Engineering at Inha University

• Fall semester, 2020

6. Energy Conversion and Electro-chemistry (CCE7025-001) (on-line)

• Graduate course at Department of Chemical Engineering at Inha University

• Fall semester, 2020

5. Computation for Chemical Engineering (CHE3206) (on-line)

• Undergraduate course at Department of Chemical Engineering at Inha University

• Spring semester, 2020

4. Heat Transfer (CHE3203-004) (on-line)

• Undergraduate course at Department of Chemical Engineering at Inha University

• Spring semester, 2020

3. Mass Transfer (CHE3200-004)

• Undergraduate course at Department of Chemical Engineering at Inha University

• Fall semester, 2019

2. Energy Conversion and Electro-chemistry (CCE7025-001)

• Graduate course at Department of Chemical Engineering at Inha University

• Fall semester, 2019

1. Computational Design of Materials

• Course Title: Computational Design of Materials

• Course Descriptions: This course is designed to be an introduction to the basic molecular simulation techniques (such as molecular mechanics, molecular dynamics and Monte Carlo) and electronic structure calculation of materials 

• Class at KIST School, University of Science and Technology (UST) and Korea University 

• Recommended References: (1) Andrew R. Leach, “Molecular Modeling: Principles and applications”, (2) Richard M. Martin, “Electronic Structure: Basic Theory and Practical Methods”, (3) Robert G. Parr and Yang Weitao, “Density-Functional Theory of Atoms and Molecules”, (4) Wolfram Koch and Max C. Holtausen, ”A Chemist's Guide to Density Functional Theory”, (5) Attila Szabo and Neil S. Ostlund, “Modern Quantum Chemistry: Introduction to Advanced Electronic Structure Theory”, (6) Charles Kittel, “Introduction to Solid State Physics”

• Evaluation: Mid-term exam: 50%, Final-term exam or project: 50%

• Course Outline: (WeeK 1) Introduction, (Week 2-13) Computational quantum chemistry, The Introduction to computational quantum mechanics, Density functional theory, Hohenberg-Kohn theory, Kohn-Sham equation(KS), Functional for exchange and correlation, Bloch theorem, K-point sampling, Plane waves, Pseudopotentials, Projector Augmented-Wave Method (PAW), Solving KS Equations, Transition State Searching Algorithms, Density of State, Bader Charge Analysis, Applications: understanding the surface chemistry on catalysts using VASP (The Vienna Ab initio simulation package) program, (Week 14) Molecular Mechanics, Bonding Models, Force fields, Energy minimization method, (Week 15) Monte Carlo, Basic concepts of statistical mechanics, Sampling and importance sampling, Monte Carlo method and algorithm, (Week 16) Molecular Dynamics, Basic concepts of classical mechanics, Basic molecular dynamics algorithm, Controlling dynamics