| Learning Outcomes |
PO |
MME |
| The students who succeeded in this course: |
|
|
| LO-1 |
Learned the Molecular Dynamics, interatomic potentials and packet programs |
PO-2 Comprehend interdisciplinary interactions and relations relevant to physics; analyze, compose, synthesize and evaluate new and complex ideas and to obtain original results by using expertise knowledge of the field PO-5 Research, understand, design, adopt and apply an original subject.
|
Examination Performance Project |
PO: Programme Outcomes MME:Method of measurement & Evaluation |
| Course Contents |
| The fundamentals of modeling and simulation, especially of atomic and molecular simulation methods are introduced, and programs of the methods used to introduce a few simple to use package. |
| Weekly Course Content |
| Week |
Subject |
Learning Activities and Teaching Methods |
| 1 |
Introduction of the scientific calculation |
Course lectures and presentation, aplication on computer |
| 2 |
Base of Molecular dynamic |
Course lectures and presentation, aplication on computer |
| 3 |
An example of Molecular Dynamic Code |
Course lectures and presentation, aplication on computer |
| 4 |
Neighbor lists |
Course lectures and presentation, aplication on computer |
| 5 |
Solving the equation of motion |
Course lectures and presentation, aplication on computer |
| 6 |
Calculation of interatomic forces |
Course lectures and presentation, aplication on computer |
| 7 |
Pair potantials |
Course lectures and presentation, aplication on computer |
| 8 |
mid-term exam |
|
| 9 |
Theory behind atomistic simulations |
Course lectures and presentation, aplication on computer |
| 10 |
Quantum mechanical methods |
Course lectures and presentation, aplication on computer |
| 11 |
Metallic potentials |
Course lectures and presentation, aplication on computer |
| 12 |
Potentials of other materials |
Course lectures and presentation, aplication on computer |
| 13 |
Other example programs in web |
Course lectures and presentation, aplication on computer |
| 14 |
Example application |
Course lectures and presentation, aplication on computer |
| 15 |
Example application |
Course lectures and presentation, aplication on computer |
| 16 |
final exam |
|
| Recommend Course Book / Supplementary Book/Reading |
| 1 |
Ders Notları / Lecture Notes |
| Required Course instruments and materials |
|