Quantum Chemistry (CME1)15 ECTS (englische Bezeichnung: Quantum Chemistry)
Modulverantwortliche/r: Andreas Görling Lehrende:
Andreas Görling, Christian Neiß, Wolfgang Hieringer, Andreas Heßelmann
Studienfächer/Prüfungsordnungsmodule:
Quanten u. Computerchemie (29395, 2 semester)
Start semester: |
SS 2019 | Duration: |
2 semester | Cycle: |
halbjährlich (WS+SS) |
Präsenzzeit: |
210 Std. | Eigenstudium: |
240 Std. | Language: |
Englisch |
Lectures:
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- A. Quantum Chemistry I (2L, 1S)
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Quantum Chemistry I / Quantenchemie I (WS 2019/2020)
(Vorlesung, 2 SWS, Andreas Görling, Wed, 11:15 - 13:00, P 3.88)
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Quantum Chemistry I - Exercises / Übung zur Quantenchemie I (WS 2019/2020)
(Übung, 1 SWS, Jannis Erhard et al., Thu, 11:00 - 12:00, CCC 2.207, TH1.805)
- B. Quantum Chemistry II (2L, 1S)
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Quantum Chemistry II (SS 2019)
(Vorlesung, 2 SWS, Andreas Görling et al., Thu, 8:15 - 10:00, P 3.88)
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Quantum Chemistry II (Seminar) (SS 2019)
(Übung, 1 SWS, Andreas Görling et al., Fri, 10:00 - 11:00, CCC 2.207, TH1.805; Mon, 14:00 - 16:00, TH1.805)
- C1. Scientific programming (2S)
Attendance in lab course is compulsory!
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Scientific Programming / Wissenschaftliches Programmieren (WS 2019/2020)
(Praktikum, 2 SWS, Andreas Heßelmann et al., Thu, 8:00 - 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., Fri, 11:15 - 13:00, CCC 2.202a)
- C3. Training in computer chemistry (4LAB)
Attendance in lab course is compulsory!
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Practical Training in Computer Chemistry / Praktikum Computerchemie (WS 2019/2020)
(Praktikum, Andreas Görling et al., Blockpraktikum)
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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 winter term; B, C2 und C3 summer term
Studien-/Prüfungsleistungen:
Quanten- und Computerchemie (Prüfungsnummer: 65301)
(englischer Titel: Oral Examination or Examination (Klausur) on Quantum and Computer Chemistry)
zugeh. "mein campus"-Prüfung: | - 65301 Quanten- und Computerchemie (Gewichtung: 100.0 %, Chemie (Master of Science) 2009, Prüfung, Form: mündliche Prüfung, Zehntelnoten, Dauer: -, 15 ECTS, Prüfung).
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- Prüfungsleistung, mündliche Prüfung, Dauer (in Minuten): 45, benotet
- Anteil an der Berechnung der Modulnote: 100.0 %
- weitere Erläuterungen:
Quantum Chemistry I/II: O45 (PL)
Scientific Programming: EX (SL)
Handling of computer systems: EX (SL)
Training in Computer Chemistry: LAB (SL)
Grading procedure: Result of the oral examination (100%)
- Prüfungssprache: Englisch
- Erstablegung: WS 2019/2020, 1. Wdh.: SS 2020
1. Prüfer: | Andreas Görling (070743) |
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