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Claudia Draxl
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Linear optical properties of solids within the full-potential linearized augmented planewave method
C Ambrosch-Draxl, JO Sofo
Computer physics communications 175 (1), 1-14, 2006
15372006
Reproducibility in density functional theory calculations of solids
K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ...
Science 351 (6280), aad3000, 2016
1402*2016
Big data of materials science: critical role of the descriptor
LM Ghiringhelli, J Vybiral, SV Levchenko, C Draxl, M Scheffler
Physical review letters 114 (10), 105503, 2015
8902015
Transport coefficients from first-principles calculations
TJ Scheidemantel, C Ambrosch-Draxl, T Thonhauser, JV Badding, ...
Physical Review B 68 (12), 125210, 2003
8142003
Band-structure topologies of graphene: Spin-orbit coupling effects from first principles
M Gmitra, S Konschuh, C Ertler, C Ambrosch-Draxl, J Fabian
Physical Review B 80 (23), 235431, 2009
7132009
Optical constants and inelastic electron-scattering data for 17 elemental metals
WSM Werner, K Glantschnig, C Ambrosch-Draxl
Journal of Physical and Chemical Reference Data 38 (4), 1013-1092, 2009
6782009
ElaStic: A tool for calculating second-order elastic constants from first principles
R Golesorkhtabar, P Pavone, J Spitaler, P Puschnig, C Draxl
Computer Physics Communications 184 (8), 1861-1873, 2013
4462013
NOMAD: The FAIR concept for big data-driven materials science
C Draxl, M Scheffler
Mrs Bulletin 43 (9), 676-682, 2018
3862018
Exciting: a full-potential all-electron package implementing density-functional theory and many-body perturbation theory
A Gulans, S Kontur, C Meisenbichler, D Nabok, P Pavone, S Rigamonti, ...
Journal of Physics: Condensed Matter 26 (36), 363202, 2014
3802014
Reconstruction of molecular orbital densities from photoemission data
P Puschnig, S Berkebile, AJ Fleming, G Koller, K Emtsev, T Seyller, ...
Science 326 (5953), 702-706, 2009
3732009
Charge distribution and electric-field gradients in
K Schwarz, C Ambrosch-Draxl, P Blaha
Physical Review B 42 (4), 2051, 1990
3521990
Van der Waals interactions between organic adsorbates and at organic/inorganic interfaces
A Tkatchenko, L Romaner, OT Hofmann, E Zojer, C Ambrosch-Draxl, ...
MRS bulletin 35 (6), 435-442, 2010
3222010
The NOMAD laboratory: from data sharing to artificial intelligence
C Draxl, M Scheffler
Journal of Physics: Materials 2 (3), 036001, 2019
3062019
Carbon nitride supported Fe2 cluster catalysts with superior performance for alkene epoxidation
S Tian, Q Fu, W Chen, Q Feng, Z Chen, J Zhang, WC Cheong, R Yu, L Gu, ...
Nature communications 9 (1), 2353, 2018
2892018
First-principles studies of the structural and optical properties of crystalline poly(para-phenylene)
C Ambrosch-Draxl, JA Majewski, P Vogl, G Leising
Physical review B 51 (15), 9668, 1995
2841995
Confined Pyrolysis within Metal–Organic Frameworks To Form Uniform Ru3 Clusters for Efficient Oxidation of Alcohols
S Ji, Y Chen, Q Fu, Y Chen, J Dong, W Chen, Z Li, Y Wang, L Gu, W He, ...
Journal of the American Chemical Society 139 (29), 9795-9798, 2017
2762017
Effect of rhenium on the dislocation core structure in tungsten
L Romaner, C Ambrosch-Draxl, R Pippan
Physical review letters 104 (19), 195503, 2010
2702010
Theoretical study of PTCDA adsorbed on the coinage metal surfaces, Ag (111), Au (111) and Cu (111)
L Romaner, D Nabok, P Puschnig, E Zojer, C Ambrosch-Draxl
New Journal of Physics 11 (5), 053010, 2009
2442009
Characterization of step-edge barriers in organic thin-film growth
G Hlawacek, P Puschnig, P Frank, A Winkler, C Ambrosch-Draxl, ...
Science 321 (5885), 108-111, 2008
2272008
Electronic properties of oligoacenes from first principles
K Hummer, C Ambrosch-Draxl
Physical Review B 72 (20), 205205, 2005
2242005
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Articles 1–20