Quantum Chemistry (CME1)15 ECTS
(englische Bezeichnung: Quantum Chemistry)

Lehrveranstaltungen:

• A. Quantum Chemistry I (2L, 1S)
  • Quantum Chemistry I / Quantenchemie I (WS 2018/2019)
    (Vorlesung, 2 SWS, Andreas Görling, Mi, 11:15 - 13:00, H2 Egerlandstr.3)
  • Quantum Chemistry I - Exercises / Übung zur Quantenchemie I (WS 2018/2019)
    (Übung, 1 SWS, Jannis Erhard et al., Fr, 8:00 - 10:00, 0.113-12)
• B. Quantum Chemistry II (2L, 1S)
  • Quantum Chemistry II (SS 2019)
    (Vorlesung, 2 SWS, Andreas Görling et al., Do, 8:15 - 10:00, P 3.88)
  • Quantum Chemistry II (Seminar) (SS 2019)
    (Übung, 1 SWS, Andreas Görling et al., Fr, 10:00 - 11:00, CCC 2.207, TH1.805; Mo, 14:00 - 16:00, TH1.805)
• C1. Scientific programming (2S)

  Attendance in lab course is compulsory!

  • Scientific Programming / Wissenschaftliches Programmieren (WS 2018/2019)
    (Praktikum, 2 SWS, Andreas Heßelmann et al., Do, 9:00 - 10:30, CCC 2.202a)
• C2. Handling of computer systems in science (2S)

  Attendance in lab course is compulsory!

  • Handling of computer systems in science (SS 2019)
    (Praktikum, 2 SWS, Wolfgang Hieringer et al., Fr, 11:15 - 13:00, CCC 2.202a)
• C3. Training in computer chemistry (4LAB)

  Attendance in lab course is compulsory!

  • Practical training in computer chemistry (SS 2019)
    (Praktikum, 4 SWS, Andreas Görling et al., nach Vereinbarung)

Inhalt:

• Introduction to modern methods and the current research issues in the field of quantum and computer chemistry

• Basics of scientific programming and handling of computer systems in science

• Creating a self-written computer program to a problem situation in the field of quantum and computer chemistry, and demonstration of the functionality

• Practical studies on selected chapters of quantum and computer chemistry at an advanced level
  

Lernziele und Kompetenzen:

Students

• sound knowledge in basic methods of quantum and computer chemistry

• are able to create computer programs for scientific purposes, to install and use scientific software on work stations and compute clusters

• apply quantum chemical methods to scientific questions under guidance.

Bemerkung:

Module compatibility: M.Sc. Chemie / M.Sc. Molecular Science (Elective module)

Organisatorisches:

Module frequency: A and C1 in winter term; B, C2 und C3 in summer term
A/B: O45, 2 examiners (PL); C1: EX (SL); C2: EX (SL); C3: LAB (SL)
Calculation of the grade for the module: Result of the oral examination (100%)

Studien-/Prüfungsleistungen:

Quanten- und Computerchemie (Prüfungsnummer: 65301)

(englischer Titel: Oral Examination or Examination (Klausur) on Quantum and Computer Chemistry)

Prüfungsleistung, mündliche Prüfung, Dauer (in Minuten): 45, benotet

Anteil an der Berechnung der Modulnote: 100.0 %

weitere Erläuterungen:
Oral examination 45 min (O45), 2 examiners

Prüfungssprache: Englisch

Erstablegung: SS 2019, 1. Wdh.: WS 2019/2020

1. Prüfer:

Andreas Görling