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| | Preview | Author(s) | Title | Type | Issue Date |
| 81 | | Doumont, Jan ; Tran, F ; Blaha, Peter | Limitations of the DFT-1/2 method for covalent semiconductors and transition-metal oxides | Präsentation Presentation | 2019 |
| 82 | | Kalantari, Leila ; Schubert, Jasmin ; Cherevan, Alexey ; Eder, Dominik ; Blaha, Peter | Water Adsorbtion on CuOₓ and NiOₓ clusters Attached to the Anatase TiO₂(101) Surface by DFT Calculations | Präsentation Presentation | 2019 |
| 83 | | Tran, F | Density-gradient-free variable in exchange-correlation functionals for detecting inhomogeneities in the electron density | Präsentation Presentation | 2019 |
| 84 | | Kraushofer, Florian ; Franceschi, Giada ; Zdenek, Jakub ; Bichler, Magdalena ; Riva, Michele ; Schmid, Michael ; Diebold, Ulrike ; Blaha, Peter ; Parkinson, Gareth S. | Surface structure of Ti-doped Hematite α-Fe2O3 films grown by pulsed laser deposition | Präsentation Presentation | 2019 |
| 85 | | Schwarz, Karlheinz | Density functional theory as implemented in WIEN2k | Präsentation Presentation | 2019 |
| 86 | | Ehsan, Sohaib ; Arrigoni, Marco ; Madsen, Georg ; Blaha, Peter | A first-principle self-consistent phonon approach for studying the vibrational properties of the high-temperature phases of pervoskites | Präsentation Presentation | 2019 |
| 87 | | Belbase, Kamal ; Tröster, Andreas ; Blaha, Peter | Implementation of stress tensor in LAPW method with emphasis on WIEN2k | Präsentation Presentation | 2019 |
| 88 | | Blaha, Peter | Accuracy of electronic structure calculations | Präsentation Presentation | 2019 |
| 89 | | Blaha, Peter | DFT approximations: Which one to use ? | Präsentation Presentation | 2019 |
| 90 | | Madsen, Georg | Phonon superscatterers | Präsentation Presentation | 2019 |
| 91 | | Madsen, Georg | Point defects as phonon super scatterers | Präsentation Presentation | 2019 |
| 92 | | Carrete, Jesus | First-principles lattice thermal transport calculations: achievements, challenges and strategies | Präsentation Presentation | 2019 |
| 93 | | Blaha, Peter | The all-electron APW code WIEN2k: Applications to phonon related properties | Präsentation Presentation | 2019 |
| 94 | | Madsen, Georg | The role of local chemistry in point defect phonon scattering | Präsentation Presentation | 2019 |
| 95 | | Dzsaber, Sami ; Yan, Xinlin ; Taupin, Mathieu ; Eguchi, Gaku ; Prokofiev, Andrey ; Shiroka, T. ; Blaha, Peter ; Rubel, O. ; Grefe, Sarah E ; Lai, Hsin-Hua ; Si, Qimiao ; Paschen, Silke | Giant spontaneous Hall effect in a nonmagnetic Weyl-Kondo semimetal | Preprint Preprint | 2019 |
| 96 | | Schwarz, Karlheinz | Die Rolle der Theorie (mit WIEN2k) in den Materialwissenschaften | Präsentation Presentation | 2018 |
| 97 | | Madsen, Georg | Phonon superscatterers | Präsentation Presentation | 2018 |
| 98 | | Madsen, Georg | High Throughput DFT Calculations - Screening for New TE Compounds | Präsentation Presentation | 2018 |
| 99 | | Madsen, Georg | Phonon scattering by structural defects | Präsentation Presentation | 2018 |
| 100 | | Bichler, Magdalena | The (012) surfaces of hematite and their interactions with water - a DFT study | Präsentation Presentation | 2018 |
