| Recommended semester: 4th -7th semester |
| Scope and form: Group work by using computers in 3 weeks, 8 hours per day. |
| Evaluation: Approval of exercises and reports
|
| Examination: Pass/fail |
| Previous course: 44442 |
| Prerequisites: 10201 / 21270.10203 / 10221 / 21475 |
| Preferred prerequisites: Some experience with numerical methods, e.g., from Technical Physics Fagpakke |
| Participant limitation: Min. 2 Max. 15 |
| Aim: Today it is possible to design new materials and drugs by performing computerexperiments. Such experiments are based on a quantum mechanical electronic structure model. The goal of this course is to give the student a knowledge of the basic quantum mechanical models, by using electronic structure theory to solve a number of problems. |
| Contents: This is an application oriented course on electron structure theory of molecules and condensed matter, where you will be writing the necessary software in the programming language Mathematica. During the first two weeks you will be introduced to the theoretical methods by solving problems with Mathematica (no prior knowledge is necessary). During the third week you will get the opportunity to study a problem of your own choice. The term paper is a Mathematica Notebook. The topics are chosen so as to match active research at MIC as closely as possible, and will therefore change from year to year. Possible topics include: Electronic structure of hydrocarbons, aromatic compounds, polymers, C60, grafite, and carbon nanotubes. Interactions between molecules and condensed matter. Comparison of computed electronic structures and experimental STM pictures. |
| Contact: Kurt Stokbro, building 344, (+45) 4525 5762, stokbro@mic.dtu.dk |
| Department: 033 Mikroelektronik Centret |
| Updated: 27-06-2001 |
