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  Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications

Friák, M., Hickel, T., Grabowski, B., Lymperakis, L., Udyansky, A., Dick, A., et al. (2011). Methodological challenges in combining quantum-mechanical and continuum approaches for materials science applications. European Physics Journal Plus, 126, 101-1-101-22. doi:10.1140/epjp/i2011-11101-2.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0019-2F29-5 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-3844-0
Genre: Journal Article

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 Creators:
Friák, M.1, Author              
Hickel, T.2, Author              
Grabowski, B.3, Author              
Lymperakis, L.4, Author              
Udyansky, A.1, Author              
Dick, A.5, Author              
Ma, D.6, Author              
Roters, F.6, Author              
Zhu, L.-F.1, Author              
Schlieter, A., Author
Kühn, U., Author
Ebrahimi, Z., Author
Lebensohn, R. A., Author
Holec, D., Author
Eckert, J., Author
Emmerich, H., Author
Raabe, D.7, Author              
Neugebauer, J.8, Author              
Affiliations:
1Ab Initio Thermodynamics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863338              
2Computational Phase Studies, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863341              
3Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863339              
4Microstructure, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863344              
5Precipitation and Kinetics, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863345              
6Theory and Simulation, Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863392              
7Microstructure Physics and Alloy Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863381              
8Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              

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Language(s): eng - English
 Dates: 2011-10-20
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: eDoc: 582758
DOI: 10.1140/epjp/i2011-11101-2
 Degree: -

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Title: European Physics Journal Plus
  Alternative Title : Eur. Phys. J. Plus
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: -
Pages: - Volume / Issue: 126 Sequence Number: - Start / End Page: 101-1 - 101-22 Identifier: -