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| | Preview | Author(s) | Title | Type | Issue Date |
| 1 | | Bosoni, Emanuele ; Beal, Louis ; Bercx, Marnik ; Blaha, Peter ; Blügel, Stefan ; Bröder, Jens ; Callsen, Martin ; Cottenier, Stefaan ; Degomme, Augustin ; Dikan, Vladimir ; Eimre, Kristjan ; Flage-Larsen, Espen ; Fornari, Marco ; Garcia, Alberto ; Genovese, Luigi ; Giantomassi, Matteo ; Huber, Sebastiaan P. ; Janssen, Henning ; Kastlunger, Georg ; Krack, Matthias ; Kresse, Georg ; Kühne, Thomas D. ; Lejaeghere, Kurt ; Madsen, Georg Kent Hellerup ; Marsman, Martijn ; Marzari, Nicola ; Michalicek, Gregor ; Mirhosseini, Hossein ; Müller, Tiziano M. A. ; Petretto, Guido ; Pickard, Chris J. ; Poncé, Samuel ; Rignanese, Gian-Marco ; Rubel, Oleg ; Ruh, Thomas ; Sluydts, Michael ; Vanpoucke, Danny E. P. ; Vijay, Sudarshan ; Wolloch, Michael ; Wortmann, Daniel ; Yakutovich, Aliaksandr V. ; Yu, Jusong ; Zadoks, Austin ; Zhu, Bonan ; Pizzi, Giovanni | How to verify the precision of density-functional-theory implementations via reproducible and universal workflows | Article Artikel  | 14-Nov-2023 |
| 2 | | Ruh, Thomas ; Lindenthal, Lorenz ; Rameshan, Raffael ; Schrenk, Florian ; Blaha, Peter ; Föttinger, Karin ; Rameshan, Christoph | DFT Investigations of the effect of doping on CaMnO3 | Präsentation Presentation | 2021 |
| 3 | | Lindenthal, Lorenz ; Rameshan, Raffael ; Summerer, Harald ; Ruh, Thomas ; Popovic, Janko ; Nenning, Andreas ; Löffler, Stefan ; Opitz, Alexander ; Blaha, Peter ; Rameshan, Christoph | Modifying the Surface Structure of Perovskite-Based Catalysts by Nanoparticle Exsolution | Artikel Article | 2020 |
| 4 | | Ruh, Thomas ; Lindenthal, Lorenz ; Summerer, Harald ; Rameshan, Raffael ; Opitz, Alexander ; Rameshan, Christoph ; Blaha, Peter | DFT Investigation of the effect of Ca doping on rare earth perovskites | Präsentation Presentation | 2020 |
| 5 | | Lindenthal, Lorenz ; Ruh, Thomas ; Rameshan, Raffael ; Summerer, Harald ; Nenning, Andreas ; Herzig, Christopher ; Löffler, Stefan ; Limbeck, Andreas ; Opitz, Alexander ; Blaha, Peter ; Rameshan, Christoph | Ca-doped rare earth perovskite materials for tailored exsolution of metal nanoparticles | Artikel Article | 2020 |
| 6 | | Ruh, Thomas ; Lindenthal, Lorenz ; Rameshan, Raffael ; Rameshan, Christoph ; Blaha, Peter | Structural Relaxation od Doped Rare Earth Perovskites | Präsentation Presentation | 2019 |
| 7 | | Müller, Danny ; Knoll, Christian ; Ruh, Thomas ; Artner, Werner ; Welch, Jan M. ; Peterlik, Herwig ; Eitenberger, Elisabeth ; Friedbacher, Gernot ; Harasek, Michael ; Blaha, Peter ; Hradil, Klaudia ; Werner, Andreas ; Weinberger, Peter | Thermochemical Energy Storage: Calcium Doping Facilitates Water Dissociation in Magnesium Oxide (Adv. Sustainable Syst. 1/2018) | Artikel Article | 15-Jan-2018 |
| 8 | | Ruh, Thomas ; Lejaeghere, Kurt ; Cottenier, Stefaan ; Blaha, Peter | The Delta Project - toward a precision benchmark set for solid state DFT | Präsentation Presentation | 2018 |
| 9 | | Ruh, Thomas ; Lejaeghere, Kurt ; Cottenier, Stefaan ; Blaha, Peter | The Delta‐Project - Toward a Precision Benchmark Set for Solid State DFT | Präsentation Presentation | 2018 |
| 10 | | Knoll, Christian ; Müller, Danny ; Ruh, Thomas ; Artner, Werner ; Welch, Jan ; Peterlik, Herwig ; Harasek, Michael ; Blaha, Peter ; Hradil, Klaudia ; Werner, Andreas ; Weinberger, Peter | Calcium doped Magnesium Oxide as improved Material for Thermochemical Energy Storage | Konferenzbeitrag Inproceedings | 2018 |
| 11 | | Müller, Danny ; Knoll, Christian ; Ruh, Thomas ; Artner, Werner ; Welch, Jan M. ; Peterlik, Herwig ; Eitenberger, Elisabeth ; Friedbacher, Gernot ; Harasek, Michael ; Blaha, Peter ; Hradil, Klaudia ; Werner, Andreas ; Weinberger, Peter | Calcium Doping Facilitates Water Dissociation in Magnesium Oxide | Artikel Article | 2018 |
| 12 | | Knoll, Christian ; Müller, Danny ; Gravogl, Georg ; Artner, Werner ; Werner, A ; Harasek, Michael ; Weinberger, Peter ; Ruh, Thomas ; Blaha, Peter | Investigations of the Reaction Kinetics of Thermochemical Energy Storage Materials | Präsentation Presentation | 2018 |
| 13 | | Ruh, Thomas ; Knoll, Christian ; Müller, Danny ; Weinberger, Peter ; Blaha, Peter | DFT Study of Water Adsorption on Cation Doped (001)-MgO Surfaces | Präsentation Presentation | 2017 |
| 14 | | Ruh, Thomas ; Knoll, Christian ; Müller, Danny ; Weinberger, Peter ; Blaha, Peter | DFT study of water adsorption on alkaline-earth-oxide surfaces | Präsentation Presentation | 2017 |
| 15 | | Ruh, Thomas ; Blaha, Peter | Improving the parallel performance of WIEN2k | Präsentation Presentation | 2017 |
| 16 | | Ruh, Thomas ; Knoll, Christian ; Müller, Danny ; Weinberger, Peter ; Blaha, Peter | Alkaline-Earth-Doped MgO-Surfaces | Präsentation Presentation | 2017 |
| 17 | | Ruh, Thomas ; Knoll, Christian ; Müller, Danny ; Weinberger, Peter ; Blaha, Peter | DFT Study of Water Adsorption on Alkaline-Earth-Oxide Surfaces | Präsentation Presentation | 2017 |
| 18 | | Ruh, Thomas ; Knoll, Christian ; Müller, Danny ; Weinberger, Peter ; Blaha, Peter | DFT Study of Water Adsorption on Ca-Doped (001)-MgO Surfaces | Präsentation Presentation | 2017 |
| 19 | | Tran, Fabien ; Stelzl, Julia ; Koller, David ; Ruh, Thomas ; Blaha, Peter | Simple way to apply nonlocal van der Waals functionals within all-electron methods | Artikel Article | 2017 |
| 20 | | Ruh, Thomas ; Knoll, Christian ; Müller, Danny ; Weinberger, Peter ; Blaha, Peter | DFT study of water adsorption on mixed (Mg,Ca)-Oxide surfaces | Präsentation Presentation | 2016 |
