Universität Wien FIND
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260102 UE Computational Science of Nanoscaled Crystalline, Amorphous and Hybride Materials (2017S)

2.50 ECTS (1.00 SWS), SPL 26 - Physik
Continuous assessment of course work


Note: The time of your registration within the registration period has no effect on the allocation of places (no first come, first served).


max. 10 participants
Language: English


Classes (iCal) - next class is marked with N

Kickoff Class will be on 02.05.17, 2:30-3:00 pm, Entrance Boltzmanngasse 5, ground floor next to the elevator, room 32 "Multifunktionsraum", 728 Physics of Nanostructure Materials.

Friday 19.05. 15:15 - 18:15 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 02.06. 15:15 - 18:15 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien
Friday 16.06. 15:15 - 18:15 Kurt-Gödel-Hörsaal, Boltzmanngasse 5, EG, 1090 Wien


Aims, contents and method of the course

Computational studies on Nanoscale Crystalline, Amorphous and Hybride materials at different length scales, starting from 'first principles' up to large- scale semi - empirical simulations, in the aim of understanding the electronic origin of the structural and mechanical properties, and targeting in the design of materials’ with predefined properties suitable for new technological applications.

Assessment and permitted materials

Practical exercises using the VASP code.

Minimum requirements and assessment criteria

The minimum requirement for a successful attendance is a basic knowledge of solid state / materials physics and computational methods.

Examination topics

The practical exercise examination will focus on the ability of the students to perform a computational study and investigate the structure and electronic properties of a chosen nanosized, crystalline or hybride material.

Reading list

Atomic and Electronic Structure of Solids, Efthimios Kaxiras, Cambridge University Press; 1 edition (January 20, 2003), ISBN-13: 978-0521523394, ISBN-10: 0521523397

The Art of Molecular Dynamics Simulation, D.C. Rapaport, Cambridge University Press; 2 edition (April 19, 2004), ISBN-13: 978-0521825689, ISBN-10: 0521825687

Handbook of the Band Structure of Elemental Solids, From Z = 1 To Z = 112,
Papaconstantopoulos, Dimitris A. ,Springer Science+Business Media New York,
2015, ISBN 978-1-4419-8264-3

Association in the course directory

MF 1, MF 2, MF 4, MF 9, MaG 7, MaG 8, MaG 9, MaG 10, MaG13, MaG 14, MaG 23

Last modified: Mo 07.09.2020 15:41