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 | 1596 | 2006 |
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 | 1283 | 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 | 921 | 2015 |
Transport coefficients from first-principles calculations TJ Scheidemantel, C Ambrosch-Draxl, T Thonhauser, JV Badding, ... Physical Review B 68 (12), 125210, 2003 | 832 | 2003 |
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—Condensed Matter and Materials Physics 80 (23), 235431, 2009 | 723 | 2009 |
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 | 690 | 2009 |
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 | 457 | 2013 |
NOMAD: The FAIR concept for big data-driven materials science C Draxl, M Scheffler Mrs Bulletin 43 (9), 676-682, 2018 | 399 | 2018 |
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 | 387 | 2014 |
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 | 377 | 2009 |
Charge distribution and electric-field gradients in K Schwarz, C Ambrosch-Draxl, P Blaha Physical Review B 42 (4), 2051, 1990 | 351 | 1990 |
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 | 326 | 2010 |
The NOMAD laboratory: from data sharing to artificial intelligence C Draxl, M Scheffler Journal of Physics: Materials 2 (3), 036001, 2019 | 322 | 2019 |
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 | 300 | 2018 |
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 | 290 | 2017 |
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 | 286 | 1995 |
Effect of rhenium on the dislocation core structure in tungsten L Romaner, C Ambrosch-Draxl, R Pippan Physical review letters 104 (19), 195503, 2010 | 273 | 2010 |
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 | 246 | 2009 |
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 | 227 | 2008 |
Electronic properties of oligoacenes from first principles K Hummer, C Ambrosch-Draxl Physical Review B—Condensed Matter and Materials Physics 72 (20), 205205, 2005 | 222 | 2005 |