529-0002-00L  Algorithms and Programming in C++

SemesterAutumn Semester 2021
LecturersS. Riniker, G. Landrum
Periodicityyearly recurring course
Language of instructionGerman


AbstractIntroduction 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 objectiveDevelopment of programming skills and craftsmanship in order to be able to deal with the complexity of computer applications in chemistry.
ContentIntroduction 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 notesScript (in English) will be available
LiteratureT.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 / NoticeSince 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.