6 EC
Semester 2, period 4
5254NUTE6Y
| Owner | Master Chemistry (joint degree) |
| Coordinator | David Dubbeldam |
| Part of |
During this course different numerical techniques, which can be used to solve sets of linear and nonlinear equations and differential equations, will be treated. With the aid of a computer several examples of relevant physical problems will be solved.
G. Lindfield and J. Penny, 'Numerical Methods using MATLAB' third edition, Elsevier 2012, and a workbook.
"Numerical Techniques and Simulation"
Matlab
At the end of the course, students should be able to
• understand and work with numbers on a computer.
• understand and write numerical algorithms using Matlab.
• understand and apply numerical techniques like differentiation, integration, and interpolation.
• understand and apply ordinary and partial differential equations.
• develop skills by translating physical-chemical phenomena into a mathematical model and to work this out into a numerical formula, with the aid of which the solution of problems is generated.
Self study using computer exercises and a one week project.
Activity | Number of hours |
Zelfstudie | 168 |
The programme does not have requirements concerning attendance (OER-B).
| Item and weight | Details |
|
Final grade | |
|
50% Grade exercises | Allows retake |
|
50% Grade exam project | Allows retake |
The total assessment is based on the exercises for each chapter, and closed with a one-week project. The final grade is based on both with 50% weight.
Contact your supervisor to make an appointment for inspection.
The 'Regulations governing fraud and plagiarism for UvA students' applies to this course. This will be monitored carefully. Upon suspicion of fraud or plagiarism the Examinations Board of the programme will be informed. For the 'Regulations governing fraud and plagiarism for UvA students' see: www.student.uva.nl
| Weeknummer | Onderwerpen | Studiestof |
| 1 | Numbers and computers | chapter 1+2 |
| 2 | Direct matrix calculations+iterative methods | chapter 3+4 |
| 3 | Interpolation, differentiation, integration | chapter 5+6 |
| 4 | Ordinary differential equations | chapter 7 |
| 5 | Partial differential equations | chapter 8 |
| 6 | Molecular Dynamics | chapter 9 |
| 7 | Monte Carlo methods | chapter 10 |
| 8 | final one week project | project |