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260102 UE Computational Science of Nanoscaled Crystalline, Amorphous and Hybride Materials (2017S)
Continuous assessment of course work
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Details
max. 10 participants
Language: English
Lecturers
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
Information
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: 0521523397The Art of Molecular Dynamics Simulation, D.C. Rapaport, Cambridge University Press; 2 edition (April 19, 2004), ISBN-13: 978-0521825689, ISBN-10: 0521825687Handbook 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
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: Fr 31.08.2018 08:55