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Georg K. H. Madsen
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wien2k
P Blaha, K Schwarz, GKH Madsen, D Kvasnicka, J Luitz
An augmented plane wave+ local orbitals program for calculating crystal …, 2001
131612001
BoltzTraP. A code for calculating band-structure dependent quantities
GKH Madsen, DJ Singh
Computer Physics Communications 175 (1), 67-71, 2006
50132006
Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method
J Enkovaara, C Rostgaard, JJ Mortensen, J Chen, M Dułak, L Ferrighi, ...
Journal of physics: Condensed matter 22 (25), 253202, 2010
23252010
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
20322002
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
16322020
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
12882001
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, JØ Hansen, ...
Science 320 (5884), 1755-1759, 2008
9532008
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
9392018
Automated search for new thermoelectric materials: the case of LiZnSb
GKH Madsen
Journal of the American Chemical Society 128 (37), 12140-12146, 2006
5022006
Colossal Seebeck coefficient in strongly correlated semiconductor FeSb2
A Bentien, S Johnsen, GKH Madsen, BB Iversen, F Steglich
Europhysics letters 80 (1), 17008, 2007
3342007
Charge order in magnetite. An LDA+ U study
GKH Madsen, P Novák
Europhysics Letters 69 (5), 777, 2005
3092005
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
2962003
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
2742014
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
2662016
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
2652017
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
1991998
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
1952004
On the electronic nature of low-barrier hydrogen bonds in enzymatic reactions
B Schiøtt, BB Iversen, GKH Madsen, FK Larsen, TC Bruice
Proceedings of the National Academy of Sciences 95 (22), 12799-12802, 1998
1501998
Characterization of the short strong hydrogen bond in benzoylacetone by ab initio calculations and accurate diffraction experiments. Implications for the electronic nature of …
B Schiøtt, BB Iversen, GK Hellerup Madsen, TC Bruice
Journal of the American Chemical Society 120 (46), 12117-12124, 1998
1461998
DFT+ U study of defects in bulk rutile TiO2
J Stausholm-Møller, HH Kristoffersen, B Hinnemann, GKH Madsen, ...
The Journal of chemical physics 133 (14), 2010
1442010
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