Scientific Programming (ScP)5 ECTS
(englische Bezeichnung: Scientific Programming)
(Prüfungsordnungsmodul: Scientific Programming)

Lectures:

• • Quantum Chemistry - Lab / Scientific Programming (WS 2020/2021)
    (Praktikum, 5 SWS, Christian Neiß et al., time and place by agreement)
  • Quantum Chemistry - Lab / Scientific Programming (SS 2021)
    (Vorlesung mit Übung, 5 SWS, Christian Neiß et al., Thu, 13:15 - 16:00)

Inhalt:

• Operating system Linux for high-performance computing (HPC)

• Scientific programming in Fortran and Python

• Using numerical and mathematical libraries/modules

• Introduction to parallel computing

• Exercises

• Programming project

Lernziele und Kompetenzen:

Students ....

• get familiar with Linux as operating system for HPC

• are able to create computer programs for scientific purposes

• can use numerical and mathematical libraries/modules in home-made programs

• obtain knowledge about basic parallelization paradigms
  

Literatur:

• Stephen J. Chapman: Fortran for Scientists and Engineers, McGraw Hill 2017 (4th ed.)

• Bernd Klein: Einführung in Python 3, Hanser 2017 (3rd ed.)

• Stefan Gerlach: Computerphysik, Springer Spektrum 2019 (2nd ed.)

Bemerkung:

Module campatibility:

• as Elective Module in M.Sc. Chemistry or M. Sc. Molecular Science (5 ECTS, not graded) - please note: the module cannot be combined with the module Quantum Chemistry - Lab

Organisatorisches:

Please note:

• The lab module starts only in winter term!

• Students have to register for the module in their first semester (check registration periods on MeinCampus)

• Registration / further information via StudOn

Verwendbarkeit des Moduls / Einpassung in den Musterstudienplan:

1. Molecular Science (Master of Science)
   (Po-Vers. 2020w | NatFak | Molecular Science (Master of Science) | Elective modules | Scientific Programming)

Studien-/Prüfungsleistungen:

Scientific Programming (Prüfungsnummer: 65561)

Prüfungsleistung, Praktikumsleistung, benotet, 5 ECTS

Anteil an der Berechnung der Modulnote: 100.0 %

weitere Erläuterungen:
PL: Successful implementation of the programming project (working program), ungraded - module has to be passed

Prüfungssprache: Englisch

Erstablegung: SS 2021

1. Prüfer:

Andreas Görling