Universität Wien

270148 PR Programming in C/Fortran/Python (2024S)

4.00 ECTS (4.00 SWS), SPL 27 - Chemie
Continuous assessment of course work
MIXED
Moodle

Registration/Deregistration

Note: The time of your registration within the registration period has no effect on the allocation of places (no first come, first served).

Details

max. 15 participants
Language: German

Lecturers

Classes

Every Monday, 13:00 - 17:00, PC Pool of Theoretical Chemistry, Währinger Straße 17, Room 203/204

04.03. 13.00 - 17.00
11.03. 13.00 - 17.00
18.03. 13.00 - 17.00
08.04. 13.00 - 17.00
15.04. 13.00 - 17.00
22.04. 13.00 - 17.00
29.04. 13.00 - 17.00
06.05. 13.00 - 17.00
13.05. 13.00 - 17.00
27.05. 13.00 - 17.00
03.06. 13.00 - 17.00
10.06. 13.00 - 17.00
17.06. 13.00 - 17.00
24.06. 13.00 - 17.00

Information

Aims, contents and method of the course

Aim:
Learn basic concepts and skills in programming in C, Fortran, and/or Python for research-driven programming tasks (like data analysis, optimization, or numerical simulation) in different areas of chemistry.

Content:
1 Basics of programming in C, Fortran, and Python
- input and output
- variables, data types, data structures
- flow control, conditionals, loops
- functions, modules, objects, classes
2 Selected algorithms, e.g.,
- recursion, search algorithms
- dynamic programming
3 Numerical algorithms, e.g.,
- linear algebra
- differential equation solvers
- Monte Carlo-style algorithms
4 Programming student project

Methods:
In-presence computer exercises with lecture-style introductions, guided analysis/discussion of code, and independent programming exercises.
Students will also write brief reports, documentation, and a short presentation.
The classes will be organized through Moodle.

Students need not know all three programming languages at the beginning of the course. The first part of the course will give an overview over basic programming knowledge (concepts), but some previous knowledge is recommended.

Assessment and permitted materials

The final grade will be composed of three exercise reports (20% each), a short presentation of the programming project (20%), and class participation (20%).

Minimum requirements and assessment criteria

Attendance is compulsory (at least 50% of all dates).

The final grade is given by this key:
100-87.5 Grade 1 "Sehr gut" ("excellent")
87.0-75.0 Grade 2 "Gut" ("good")
74.5-62.5 Grade 3 "Befriedigend" ("satisfactory")
62.0-50.0 Grade 4 "Genügend" ("sufficient")
49.5-0.0 Grade 5 "Nicht genügend" ("failed")

Examination topics

Students will need to write short reports or documentation during the units (or at home) for some of the programming exercises. They will also need to conduct a small programming project (with either a provided or self-chosen topic) that they need to document and present to the other students.

Reading list

Introductory books on programming in general and on C/Fortran/Python.
More detailed literature suggestions and material will be provided via Moodle.

Association in the course directory

CH-TPA-05, WD4

Last modified: Fr 01.03.2024 15:26