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 bioinformatics Computer language: C++
Learning 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++
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)
Prerequisites / Notice
Since the exercises on the computer do convey and test essentially different skills as those being conveyed during the lectures and tested at the oral exam, the results of the exercises are taken into account when evaluating the results of the exam.
Performance assessment
Performance assessment information (valid until the course unit is held again)
Performance assessment as a semester course