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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 & Examiners: Prof. Dr. Sereina Riniker, Dr. Gregory Landrum
VVZ CR 4.8

Last Updated: 2026-02-05 16:15:16

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
nach Bedarf in Englisch.
  • Wed 13:45-15:30 (HCI J 6)
  • Thu 11:45-12:30 (HCP G 24.3)
3 h weekly

Offered In