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Quantum Chemistry

Quantum chemistry methods allow for a detailed description of the electronic structure and can shed light on the physical processes that happen over the course of a chemical reaction and are used to support modern day experiments.

The aim of the course is to give a detailed understanding of molecular orbital theory with research-level applications. During the course, basic and advanced methods in quantum chemistry are presented. An important part of the course is the practical computer exercises, in which you get hands-on experience with simple quantum chemical calculations, such as Hartree-Fock and density functional theory. Furthermore, you learn how to approach a chemical reaction from a quantum chemical perspective by determining potential minima, transition states, force constants, zero-point energy, and other relevant reaction parameters.

Teaching during the autumn term 2020

During the first half of the autumn semester 2020, the lectures in the course Quantum Chemistry will be given remotely. The first two computer labs will be carried out on campus. The format of teaching during the second half of the autumn will be decided before the semester starts. The course is examined through written and oral reports on the computer labs as well as a remote written exam. The course is using the Athena learning platform.

  • Course structure

    This is a second cycle course given at half speed during daytime. This course can also be taken as a third cycle course.

    Teaching format

    The teaching consists of seminars, group education, and obligatory computer-based exercises.

    Assessment

    The course is examined through a final written and oral examination, and through written and oral presentation of the computer-based exercises.

    Examiner

    Markus Kowalewski, phone: +468 5537 8661, e-mail: markus.kowalewski@fysik.su.se

    Michael Odelius, phone: +468 5537 8713, e-mail: Michael.Odelius@fysik.su.se

  • Schedule

    The schedule will be available no later than one month before the start of the course. We do not recommend print-outs as changes can occur. At the start of the course, your department will advise where you can find your schedule during the course.
  • Course literature

    Note that the course literature can be changed up to two months before the start of the course.

    Introduction to Computational Chemistry  by F.Jensen

  • Course reports

    Här ligger ett skript.

  • More information

    When can I apply?

    Registration is open from mid-March to mid-April for courses that run in the fall, and from mid-September to mid-October for courses that run in the spring.

    Please note that many courses open for late registration in mid-July for courses in the autumn term and in mid-December for courses in the spring term.

    Read our step by step guide on how to apply

  • Contact

    Course coordinator and teacher:
    Markus Kowalewski, phone: +468 5537 8661, e-mail: markus.kowalewski@fysik.su.se
    Michael Odelius, phone: +468 5537 8713, e-mail: Michael.Odelius@fysik.su.se

    Computer exercises:
    Cody Sterling, e-mail: cody.sterling@fysik.su.se

     

    Academic advisor at the Department of Physics: studievagledare@fysik.su.se

    Student office: studentexp@fysik.su.se