English
 
User Manual Privacy Policy Disclaimer Contact us
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT
  Ab initio vibrational free energies including anharmonicity for multicomponent alloys

Grabowski, B., Ikeda, Y., Srinivasan, P., Körmann, F., Freysoldt, C., Duff, A. I., et al. (2019). Ab initio vibrational free energies including anharmonicity for multicomponent alloys. npj Computational Materials, 5(1): 80. doi:10.1038/s41524-019-0218-8.

Item is

Basic

show hide
Item Permalink: http://hdl.handle.net/21.11116/0000-0005-BDE4-5 Version Permalink: http://hdl.handle.net/21.11116/0000-0006-9B16-3
Genre: Journal Article

Files

show Files
hide Files
:
2019_12_01_Ab initio vibrational free energies including anharmonicity for multicomponent alloys.pdf (Supplementary material), 2MB
Name:
2019_12_01_Ab initio vibrational free energies including anharmonicity for multicomponent alloys.pdf
Description:
Open Access
Visibility:
Public
MIME-Type / Checksum:
application/pdf / [MD5]
Technical Metadata:
Copyright Date:
-
Copyright Info:
-

Locators

show

Creators

show
hide
 Creators:
Grabowski, Blazej1, Author              
Ikeda, Yuji2, 3, Author              
Srinivasan, Prashanth4, Author              
Körmann, Fritz2, 5, Author              
Freysoldt, Christoph6, Author              
Duff, Andrew Ian7, Author              
Shapeev, Alexander8, Author              
Neugebauer, Jörg2, Author              
Affiliations:
1Adaptive Structural Materials (Simulation), Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863339              
2Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863337              
3Materials Science and Engineering, Kyoto University, 606-8501 Kyoto, Japan, ou_persistent22              
4Department of Materials Science and Engineering, Delft University of Technology, Mekelweg 2, Delft, 2628 CD, The Netherlands, ou_persistent22              
5Department of Materials Science and Engineering, Delft University of Technology, Mekelweg 2, 2628 CD Delft, The Netherlands, ou_persistent22              
6Defect Chemistry and Spectroscopy, Computational Materials Design, Max-Planck-Institut für Eisenforschung GmbH, Max Planck Society, ou_1863342              
7Scientific Computing Department, STFC Daresbury Laboratory, Hartree Centre, Warrington, UK, ou_persistent22              
8Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, Nobel St. 3, Moscow, 143026, Russian Federation, ou_persistent22              

Content

show

Details

show
hide
Language(s): eng - English
 Dates: 2019-07-082019-07-262019-12-01
 Publication Status: Published in print
 Pages: 6
 Publishing info: -
 Table of Contents: -
 Rev. Method: Peer
 Identifiers: DOI: 10.1038/s41524-019-0218-8
 Degree: -

Event

show

Legal Case

show

Project information

show hide
Project name : Funding by the Deutsche Forschungsgemeinschaft (SPP 2006) and the European Research Council (ERC) under the EU's Horizon 2020 Research and Innovation Programme (Grant no. 639211) is gratefully acknowledged. F. K. acknowledges NWO/STW (VIDI grant 15707). A. S. was supported by the Russian Science Foundation (Grant no. 18-13-00479). A. I. D. acknowledges support from the STFC Hartree Center program, Innovation: Return on Research, funded by the UK Department for Business, Energy & Industrial Strategy. This collaboration might not have been possible had the authors not met at a number of research programs at the Institute of Pure and Applied Mathematics, UCLA.
Grant ID : -
Funding program : Horizon 2020 (H2020)
Funding organization : European Commission (EC)

Source 1

show
hide
Title: npj Computational Materials
  Abbreviation : npj Comput. Mater.
Source Genre: Journal
 Creator(s):
Affiliations:
Publ. Info: London : Springer Nature
Pages: 6 Volume / Issue: 5 (1) Sequence Number: 80 Start / End Page: - Identifier: ISSN: 2057-3960
CoNE: https://pure.mpg.de/cone/journals/resource/2057-3960