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529-0002-00L 6 Credits BSC D-CHAB
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Algorithms and Programming for Chemistry

Algorithmen und Programmieren für die Chemie

Lecturers: Prof. Dr. Sereina Riniker
Examiners: Prof. Dr. Sereina Riniker, Dr. Gregory Landrum
Does not take place this semester. Will not be offered in the Autumn Semester 2025 and is postponed to the Spring Semester 2026.
VVZ CR 4.8

Last Updated: 2026-06-01 11:30:49

Abstract

Introduction to algorithms (special focus on chemistry):Design of algorithms, data structures, search and sort algorithms, graphs, numerical algorithms, algorithms in cheminformatics, machine learning and bioinformaticsComputer language: C++

Objective

Development of programming skills and craftsmanship in order to be able to deal with the complexity of computer applications in chemistry.

Content

Introduction to algorithms (special focus on chemistry): Design of algorithms, data structures, search and sort algorithms, graphs, numerical algorithms, algorithms in cheminformatics, machine learning and cheminformatics Computer language: C++

Resources

Lecture Notes

Script (in English) will be available

Literature

T.H. Cormen, C. E. Leiserson, R. L. Rivest, C. Stein, "Introduction to Algorithms", MIT Press (2009) C++ programming: S. Oualline, "Practical C++ Programming", O'Reilly (2003)

Learning Materials (Links)

General Information

Language
German
Levels
BSC
Frequency
Yearly recurring

Examination

Type
session examination
Mode
oral 30 minutes
Lernelement: Bei erfolgreicher Durchführung von 6 der 7 Übungen kann die Gesamtnote additiv um bis zu 0.25 Notenpunkte verbessert werden.

Course Components

Type Title Time & Place Hours
lecture with exercise Algorithmen und Programmieren für die Chemie
Does not take place this semester. Wird im Herbstsemester 25 nicht angeboten und auf das Frühjahrssemester 26 verschoben.
No time listed 3 h weekly

Offered In