nireEHU 
Subject
Modelling and Molecular Dynamics Simulations at the Nanoscale
General details of the subject
- Mode
- Face-to-face degree course
- Language
- English
Teaching staff
| Name | Institution | Category | Doctor | Teaching profile | Area | |
|---|---|---|---|---|---|---|
| LOPEZ PESTAÑA, JOSE JAVIER | University of the Basque Country | Profesorado Catedratico De Universidad | Doctor | Bilingual | Physical Chemistry | xabier.lopez@ehu.eus |
| UGALDE URIBE-ETXEBARRIA, JESUS | University of the Basque Country | Profesorado Catedratico De Universidad | Doctor | Bilingual | Physical Chemistry | jesus.ugalde@ehu.eus |
Competencies
| Name | Weight |
|---|---|
| . | 100.0 % |
Study types
| Type | Face-to-face hours | Non face-to-face hours | Total hours |
|---|---|---|---|
| Lecture-based | 15 | 30 | 45 |
| Applied computer-based groups | 15 | 15 | 30 |
Assessment systems
| Name | Minimum weighting | Maximum weighting |
|---|---|---|
| Otras Evaluaciones | 100.0 % | 100.0 % |
Temary
Lecture 1 Introduction to ab-initio methods in the modelling of nanostructuresLecture 2 Solid-state methods
Lecture 3 Quantum chemistry methods
Lecture 4 Introduction to molecular dynamics simulation in the nanoscale
Lecture 5 The concept of forcefield
Lecture 6 Needed algorithms
Lecture 7 Mesoscopic methods
Bibliography
Basic bibliography
- Computer Simulation of Liquids, M.P. Allen D.J.Tildesley (Oxford Science Punlications, 1987).
- Modelling Molecular Structures, A. Hinchliffe (Wiley and Sons, 2000).
- Computacional Materials Science, K. Ohno, K. Esfarjani, and Y. Kawazoe (Springer, Berlin, 1999).
- Electronic structure: basic theory and practical methods, Richard M. Martin (Cambridge University Press, 2004)