Computational Chemistry

Korea University

Course Description

  • Course Name

    Computational Chemistry

  • Host University

    Korea University

  • Location

    Seoul, South Korea

  • Area of Study

    Chemistry

  • Language Level

    Taught In English

  • Prerequisites

    All students should be familiar with Quantum Chemistry.

  • Course Level Recommendations

    Upper

    ISA offers course level recommendations in an effort to facilitate the determination of course levels by credential evaluators.We advice each institution to have their own credentials evaluator make the final decision regrading course levels.

    Hours & Credits

  • Host University Units

    3
  • Recommended U.S. Semester Credits
    3
  • Recommended U.S. Quarter Units
    4
  • Overview

    Course Outline
    Quantum chemistry calculation plays an important role in modern chemistry and material science. Especially the development of Density Functional Theory (DFT) and Time-dependent DFT (TD-DFT) enables us to deal with the many-particle systems with the limited computational power and resources. Among various quantum calculation methods, DFT becomes most popular due to its reliability in calculation result. In this course, we will learn how to perform DFT calculation mainly with Gaussian 09 program.

    Course Objective}
    In this course, I will provide the fundamental principle of Density Functional Calculations. Starting from the Schrodinger equation, we will set up the numerical recipe to solve the time-independent Schrodinger equation, which is called as Hartree-Fock equation. Then, Kohn-Sham approach for DFT calculation will be introduced. From the practice with Gaussian 09 program, we will be familiar with the quantum chemistry calculation and can do a simple research project.

    Textbook, Material
    Lectur ematerials will be uploaded.

Course Disclaimer

Courses and course hours of instruction are subject to change.

Eligibility for courses may be subject to a placement exam and/or pre-requisites.

Credits earned vary according to the policies of the students' home institutions. According to ISA policy and possible visa requirements, students must maintain full-time enrollment status, as determined by their home institutions, for the duration of the program.

Please reference fall and spring course lists as not all courses are taught during both semesters.

Availability of courses is based on enrollment numbers. All students should seek pre-approval for alternate courses in the event of last minute class cancellations