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| INFO0202-1 | Programming Methods Applied to Chemistry
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| Duration : | 15h Th, 15h Pr |
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| Credits/ECTS : |
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| Holder(s) : | Jean‑Yves Raty |
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| Language : | French language |
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| 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.
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, snoothing, least squares, equations systems solving etc...). iii) We describe in details the programming language that we will use during the practicals. |
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| Course objective : | 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. |
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| Prerequisites : | None |
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| Workshops : | 5 practical lessons hands on the computer. |
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| Organization : | Theory classes + practicals. |
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| Written notes : | One copy of the notes will be distributed at the beginning of each lesson. Slides copies will also be available. |
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| Assessment : | 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). |
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| Contacts : | J.Y. Raty jyraty@ulg.ac.be
FNRS-ULg
Room 3/47 Physics B5
B-4000 Liège
Tel.: 32-(0)4-3663747, Fax: 32-(0)4-3662990 |
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