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Material design using HPC resources

Material design using HPC resources
9360-0240/01
čeština Material design using HPC resources
9360-0240/02
angličtina

Summary

The aim of the subject is to gain knowledge to manipulate and process enormous data generated by any code of material design at HPC supercomputers of IT4Innovations (GBi, TBi) and to handle quantum-mechanical calculations as well as molecular dynamics suitable for finite pressures and temperatures, i.e. a multiscale approach, from nano to macro world. Such knowledge enables to design materials with required properties.

Literature

MAHAN, G. D., Many-Particle Physics, Springer, 2000, ISBN 978-1-4757-5714-9 
MARTIN, R. M., Electronic Structure: Basic Theory and Practical Methods, Cambridge University Press, 2004, ISBN-13: 978-0521782852
ASCROFT N. W. and N. D. Mermin, Solid State Physics, Cengage Learning, 1976, ISBN-13: 978-0030839931 
KAXIRAS, Efthimios. Atomic and electronic structure of solids. New York: Cambridge University Press, 2003. ISBN 978-0521523394

Advised literature

CHAIKIN, P. M. and T. C. LUBENSKY. Principles of condensed matter physics. Cambridge [u.a.]: Cambridge Univ. Press, 2007. ISBN 9780521794503 
SINGLETON, J., Band Theory and Electronic Properties of Solids, Oxford Master Series in Physics, 2001, ISBN-10: 0198505914 
BLUNDELL, Stephen. Magnetism in condensed matter. Oxford: Oxford University Press, 2001. Oxford master series in condensed matter physics. ISBN 9780198505914 
GRIMVALL, Göran. Thermophysical properties of materials. Enl. and rev. ed. New York:Elsevier, 1999. ISBN 0444827943 


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Language of instruction čeština, angličtina
Code 9360-0240
Abbreviation DN
Course title Material design using HPC resources
Coordinating department CNT - Nanotechnology Centre
Course coordinator Ing. Dominik Legut, Ph.D.