Search result: Catalogue data in Autumn Semester 2021
Chemistry Bachelor  | ||||||
 ElectivesStudents are free to choose from a range of D-CHAB chemistry courses appropriate to their level of study (please note admission requirements). In case of doubt, contact the student administration. | ||||||
| Computational Chemistry | ||||||
| Number | Title | Type | ECTS | Hours | Lecturers | |
|---|---|---|---|---|---|---|
| 529-0002-00L | Algorithms and Programming in C++ | W | 6 credits | 3G | S. Riniker, G. Landrum | |
| 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 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. | |||||
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