Topics in chemistry with Python

Uitgebreide vaknaam	Topics in chemistry with Python
Leerdoelen	At the end of the course, the student is able to: 1. Explain and mathematically describe topics in chemistry; e.g Statistical Thermodynamics, Chemical Kinetics, Quantum Chemistry, and Crystallography, in particular in computational context 2. Determine appropriate numerical strategies and define a well-designed algorithm for a given problem 3. Solve the problem by writing an efficient computer program; e.g. in Phyton, and analyst the stability and accuracy of the code 4. Analyze, present, and interpret the results/data in a written lab report
Omschrijving	The course aims to teach students how to solve, analyze, present, and interpret chemistry related problems using a computer. The lectures focus on explaining various topics in chemistry, e.g. understanding and calculation of the predictable statistical behaviour of assemblies of large numbers of identical molecules, reaction rates, rate laws, crystal structure and latices, as well as new programming language, i.e. Python. During the practical sessions students will subsequently practice applying these concepts in the computer practicals, will further learn the new programming techniques, and will write small Python programs, demonstrating their ability to correctly and efficiently solve a specific problem using computer. The practical sessions involve importing, visualizing, analysing, and processing theoretical and/or experimental data.
Uren per week
Onderwijsvorm	Hoorcollege (LC), Opdracht (ASM), Practisch werk (PRC) (Lecture 8 hrs, practical 16 hrs, assignment 80 hrs, self study 36 hrs)
Toetsvorm	Presentatie (P), Verslag (R) (To pass the course the final mark for the Lab Report should be 5.50 or higher and a pass for the Oral Presentation (pass/fail based on contents, clarity, presentation style and ability to discuss).)
Vaksoort	master
Coördinator	prof. dr. S.S. Faraji
Docent(en)	prof. dr. W.R. Browne ,prof. dr. S.S. Faraji ,dr. R.W.A. Havenith
Entreevoorwaarden	The course unit assumes prior knowledge from Quantum Chemistry courses, Molecular Quantum Mechanics 1 and 2
Opmerkingen
Opgenomen in	Opleiding Jaar Periode Type MSc Chemistry: Advanced Materials  (Electives) - semester II a keuze MSc Chemistry: Catalysis and Green Chemistry  (Electives) - semester II a keuze MSc Chemistry: Chemical Biology  (Electives) - semester II a keuze MSc Chemistry: Erasmus Mundus Theoretical Chemistry and Computing Modelling  (Core Programma) 1 semester II a verplicht MSc Chemistry: Science, Business and Policy  (Electives) - semester II a keuze