Study Programmes 2015-2016
| INFO0202-1 | |||||||||||
| Programming Methods Applied to Chemistry | |||||||||||
|
Duration :
|
|||||||||||
| 15h Th, 15h Pr | |||||||||||
|
Number of credits :
|
|||||||||||
|
|||||||||||
|
Lecturer :
|
|||||||||||
| Alejandro Silhanek | |||||||||||
|
Language(s) of instruction :
|
|||||||||||
| French language | |||||||||||
|
Organisation and examination :
|
|||||||||||
| Teaching in the second semester | |||||||||||
|
Units courses prerequisite and corequisite :
|
|||||||||||
| Prerequisite or corequisite units are presented within each program | |||||||||||
|
Course contents :
|
|||||||||||
| This first course in programming aims at making the student comfortable with the basis techniques able to solve a numerical problems by means of a computer and a structured programming language (C++).
It consists of 3 parts that will be developped in parallel. i) We described basis programming structures (loops, conditions...). ii) We describe common algorithms and remind some essential formulas (interpolation, derivatives, integration, least squares, equations systems solving etc...). iii) We will briefly discuss some methods and problems commonly addressed in computational physics and chemistry. |
|||||||||||
|
Learning outcomes of the course :
|
|||||||||||
| This programming course is mostly practical and at the end of it the student should have acquired some autonomy in using a computer in solving a numerical problem that might occur during a chemist's career. The practicals will teach the student to master the environment available to him (exploitation system, compiler, editor) and to realize by himself concise and efficient programs. | |||||||||||
|
Prerequisite knowledge and skills :
|
|||||||||||
| Basic mathematics and physics. | |||||||||||
|
Planned learning activities and teaching methods :
|
|||||||||||
| 5 practical lessons hands on the computer. | |||||||||||
|
Mode of delivery (face-to-face ; distance-learning) :
|
|||||||||||
| Theory classes + practicals. | |||||||||||
|
Recommended or required readings :
|
|||||||||||
| One copy of the notes will be distributed at the beginning of each lesson. Slides copies will also be available. | |||||||||||
|
Assessment methods and criteria :
|
|||||||||||
| The student will be evaluated on his ability to use a computer to build a simple program that solves a given numerical problem. The exams consists in a small written part typically 30min) dealing with the programming language itself, and a practical part, hands on the computer, with a simple numerical problem to solve (same difficulty level as those realized during the practicals). |
|||||||||||
|
Work placement(s) :
|
|||||||||||
|
Organizational remarks :
|
|||||||||||
|
Contacts :
|
|||||||||||
| Alejandro V. Silhanek Département de Physique Université de Liège Bât. B5, R/51 Allée du 6 août, 17 B- 4000 Sart Tilman BELGIUM Tel : 04 366 36 32 Email: asilhanek@ulg.ac.be | |||||||||||
|
Items online :
|
|||||||||||
 | Ensemble de notes de cours Fichiers pdf |
||||||||||