| wien2k P Blaha, K Schwarz, GKH Madsen, D Kvasnicka, J Luitz An augmented plane wave+ local orbitals program for calculating crystal …, 2001 | 13619 | 2001 |
| BoltzTraP. A code for calculating band-structure dependent quantities GKH Madsen, DJ Singh Computer Physics Communications 175 (1), 67-71, 2006 | 5685 | 2006 |
| Electronic structure calculations with GPAW: a real-space implementation of the projectoraugmented-wave method J Enkovaara, C Rostgaard, JJ Mortensen, J Chen, M Dułak, L Ferrighi, ... Journal of physics: Condensed matter 22 (25), 253202, 2010 | 2512 | 2010 |
| Electronic structure calculations of solids using the WIEN2k package for material sciences K Schwarz, P Blaha, GKH Madsen Computer physics communications 147 (1-2), 71-76, 2002 | 2180 | 2002 |
| WIEN2k: An APW+ lo program for calculating the properties of solids P Blaha, K Schwarz, F Tran, R Laskowski, GKH Madsen, LD Marks The Journal of chemical physics 152 (7), 2020 | 2076 | 2020 |
| Efficient linearization of the augmented plane-wave method GKH Madsen, P Blaha, K Schwarz, E Sjöstedt, L Nordström Physical Review B 64 (19), 195134, 2001 | 1370 | 2001 |
| BoltzTraP2, a program for interpolating band structures and calculating semi-classical transport coefficients GKH Madsen, J Carrete, MJ Verstraete Computer Physics Communications 231, 140-145, 2018 | 1179 | 2018 |
| The Role of Interstitial Sites in the Ti3d Defect State in the Band Gap of Titania S Wendt, PT Sprunger, E Lira, GKH Madsen, Z Li, JŘ Hansen, ... Science 320 (5884), 1755-1759, 2008 | 973 | 2008 |
| Automated search for new thermoelectric materials: the case of LiZnSb GKH Madsen Journal of the American Chemical Society 128 (37), 12140-12146, 2006 | 525 | 2006 |
| Colossal Seebeck coefficient in strongly correlated semiconductor FeSb2 A Bentien, S Johnsen, GKH Madsen, BB Iversen, F Steglich Europhysics letters 80 (1), 17008, 2007 | 350 | 2007 |
| Charge order in magnetite. An LDA+ U study GKH Madsen, P Novák Europhysics Letters 69 (5), 777, 2005 | 313 | 2005 |
| almaBTE: A solver of the space–time dependent Boltzmann transport equation for phonons in structured materials J Carrete, B Vermeersch, A Katre, A van Roekeghem, T Wang, ... Computer Physics Communications 220, 351-362, 2017 | 301 | 2017 |
| Electronic structure and transport in type-I and type-VIII clathrates containing strontium, barium, and europium GKH Madsen, K Schwarz, P Blaha, DJ Singh Physical Review B 68 (12), 125212, 2003 | 301 | 2003 |
| Designing high-performance layered thermoelectric materials through orbital engineering J Zhang, L Song, GKH Madsen, KFF Fischer, W Zhang, X Shi, BB Iversen Nature communications 7 (1), 10892, 2016 | 292 | 2016 |
| Are binary copper sulfides/selenides really new and promising thermoelectric materials? G Dennler, R Chmielowski, S Jacob, F Capet, P Roussel, S Zastrow, ... Advanced Energy Materials 4 (9), 1301581, 2014 | 291 | 2014 |
| Magnetic structure and electric-field gradients of uranium dioxide: An ab initio study R Laskowski, GKH Madsen, P Blaha, K Schwarz Physical Review B 69 (14), 140408, 2004 | 203 | 2004 |
| Topological Analysis of the Charge Density in Short Intramolecular O− H⊙⊙⊙ O Hydrogen Bonds. Very Low Temperature X-ray and Neutron Diffraction Study of Benzoylacetone GKH Madsen, BB Iversen, FK Larsen, M Kapon, GM Reisner, ... Journal of the American Chemical Society 120 (39), 10040-10045, 1998 | 198 | 1998 |
| Characterization of the short strong hydrogen bond in benzoylacetone by ab initio calculations and accurate diffraction experiments. Implications for the electronic nature of … B Schiřtt, BB Iversen, GK Hellerup Madsen, TC Bruice Journal of the American Chemical Society 120 (46), 12117-12124, 1998 | 154 | 1998 |
| DFT+ U study of defects in bulk rutile TiO2 J Stausholm-Mřller, HH Kristoffersen, B Hinnemann, GKH Madsen, ... The Journal of chemical physics 133 (14), 2010 | 152 | 2010 |
| On the electronic nature of low-barrier hydrogen bonds in enzymatic reactions B Schiřtt, BB Iversen, GKH Madsen, FK Larsen, TC Bruice Proceedings of the National Academy of Sciences 95 (22), 12799-12802, 1998 | 152 | 1998 |
P BlahaMaterials Chemistry, TU ViennaVerified email at theochem.tuwien.ac.at
