Universität Wien FIND

260102 UE Computational Science of Nanoscaled Crystalline, Amorphous and Hybride Materials - Exercises (2017S)

2.50 ECTS (1.00 SWS), SPL 26 - Physik
Prüfungsimmanente Lehrveranstaltung


max. 10 Teilnehmer*innen
Sprache: Englisch


Termine (iCal) - nächster Termin ist mit N markiert

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.

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


Ziele, Inhalte und Methode der Lehrveranstaltung

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.

Art der Leistungskontrolle und erlaubte Hilfsmittel

Practical exercises using the VASP code.

Mindestanforderungen und Beurteilungsmaßstab

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


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.


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

Zuordnung im Vorlesungsverzeichnis

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

Letzte Änderung: Fr 31.08.2018 08:55