Name Card

Full name Familienname, Vorname
Blaha, Peter
 
Main Affiliation Organisations­zuordnung
 

Own Publications Eigene Publikationen

Results 1-20 of 515 (Search time: 0.004 seconds).

PreviewAuthor(s)TitleTypeIssue Date
1Kovács, Péter ; Blaha, Peter ; Madsen, Georg K H Origin of the success of mGGAs for bandgapsArticle Artikel 29-Dec-2023
2Siebenhofer, Matthäus ; Nenning, Andreas ; Kubicek, Markus ; Blaha, Peter ; Fleig, Jürgen Engineering Surface Dipoles on Mixed Conducting Oxides with Ultra-Thin Oxide Decoration LayersPresentation Vortrag29-Nov-2023
3Bosoni, 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 workflowsArticle Artikel 14-Nov-2023
4Chen-2023-The Journal of Physical Chemistry C-vor.pdf.jpgChen, Jia-Li ; Blaha, Peter ; Kaltsoyannis, Nikolas DFT + U simulation of the X-ray absorption near-edge structure of bulk UO₂ and PuO₂Article Artikel 14-Sep-2023
5Siebenhofer, Matthäus ; Riedl, Christoph ; Nenning, Andreas ; Wilson, G. E. ; Kilner, J. A. ; Kubicek, Markus ; Blaha, Peter ; Fleig, Jürgen Electronic and ionic effects of acidic adsorbates on SOFC cathode surfacesPresentation Vortrag31-May-2023
6Siebenhofer, Matthäus ; Nenning, Andreas ; Wilson, George E. ; Kilner, John A. ; Rameshan, Christoph ; Kubicek, Markus ; Fleig, Jürgen ; Blaha, Peter Electronic and ionic effects of sulphur and other acidic adsorbates on the surface of an SOFC cathode materialArticle Artikel 7-Apr-2023
7Yao-2023-Physical Review X-vor.pdf.jpgYao, Xiaohan ; Gaudet, Jonathan ; Verma, Rahul ; Graf, David ; Yang, Hung-Yu ; Bahrami, Faranak ; Zhang, Ruiqi ; Aczel, Adam ; Subedi, Sujan ; Torchinsky, Darius ; Sun, Jianwei ; Bansil, Arun ; Huang, Shin Ming ; Singh, Bahadur ; Blaha, Peter ; Nikolić, Predrag ; Tafti, Fazel Large topological hall effect and spiral magnetic order in the Weyl semimetal SmAlSiArticle Artikel Mar-2023
8Doumont, Jan ; Tran, Fabien ; Blaha, Peter Erratum: Implementation of self-consistent MGGA functionals in augmented plane wave based methods (Phys. Rev. B (2022) 105 (195138) DOI: 10.1103/PhysRevB.105.195138)Article Artikel15-Oct-2022
9Kovács, Péter ; Tran, Fabien ; Blaha, Peter ; Madsen, Georg K H What is the optimal mGGA exchange functional for solids?Article Artikel 2-Sep-2022
10Ghosh, Arghya ; Jana, Subrata ; Niranjan, Manish K. ; Tran, Fabien ; Wimberger, David ; Blaha, Peter ; Constantin, Lucian A. ; Samal, Prasanjit Correct and Accurate Polymorphic Energy Ordering of Transition-Metal Monoxides Obtained from Semilocal and Onsite-Hybrid Exchange-Correlation ApproximationsArticle Artikel 1-Sep-2022
11Kovacs, Peter ; Tran, Fabien ; Blaha, Peter ; Madsen, Georg Kent Hellerup What is the optimal mGGA exchange functional for solids?Inproceedings Konferenzbeitrag23-Aug-2022
12Li, Xia ; Haunold, Thomas ; Werkovits, Stefan ; Marks, Laurence D ; Blaha, Peter ; Rupprechter, Günther CO Adsorption and Disproportionation on Smooth and Defect-Rich Ir(111)Article Artikel 21-Apr-2022
13Blaha, Peter ; Chermette, Henry Dedication: Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th BirthdayArtikel Article 2022
14Rubel, Oleg ; Blaha, Peter Length-Gauge Optical Matrix Elements in WIEN2kArtikel Article 2022
15Saini, Himanshu ; Laurien, Magdalena ; Blaha, Peter ; Rubel, Oleg WloopPHI: A tool for ab initio characterization of Weyl semimetalsArtikel Article 2022
16Blaha, Peter Density-functional theory approaches to XAS in solidsBook Contribution Buchbeitrag2022
17Doumont, Jan ; Tran, Fabien ; Blaha, Peter Implementation of self-consistent MGGA functionals in augmented plane wave based methodsArtikel Article 2022
18Ruh, Thomas ; Lindenthal, Lorenz ; Rameshan, Raffael ; Schrenk, Florian ; Blaha, Peter ; Föttinger, Karin ; Rameshan, Christoph DFT Investigations of the effect of doping on CaMnO3Präsentation Presentation2021
19Belbase, Kamal ; Tröster, Andreas ; Blaha, Peter Stress tensor in the linearized augmented plane wave methodArtikel Article 2021
20Lizion, J. ; Piarristeguy, A. ; Laskowski, R. ; Blaha, P. ; Escalier, R. ; Ménétrier, M. ; Pradel, A. ; Silly, G. ¹²⁵Te NMR for structural investigations in phase change materials: Optimization of experimental conditions coupled to NMR shift predictionArtikel Article 2021

Contributing Publications Mitbeteiligte Publikationen

Results 1-15 of 15 (Search time: 0.009 seconds).

PreviewAuthors / EditorsTitleTypeIssue Date
1Wimberger David - 2023 - Structural and energetic description of transition...pdf.jpgWimberger, David Structural and energetic description of transition metal compounds with advanced density functionalsThesis Hochschulschrift 2023
2Ruh Thomas - 2023 - Optimizing the Density Functional Theory Code WIEN2k.pdf.jpgRuh, Thomas Optimizing the Density Functional Theory code WIEN2kThesis Hochschulschrift 2023
3Belbase, Kamal The stress tensor in the augmented plane wave based methods and its implementation in the WIEN2k codeThesis Hochschulschrift2021
4Kalantari Leila - 2021 - Development test and application of DFT-based methods...pdf.jpgKalantari, Leila Development, test and application of DFT-based methods for low dimensional systemsThesis Hochschulschrift 2021
5Ehsan Sohaib - 2020 - Density functional theory study of phase transitions in...pdf.jpgEhsan, Sohaib Density functional theory study of phase transitions in perovskitesThesis Hochschulschrift 2020
6Froehlich Katja - 2018 - Next generation HE-NMC cathodes for advanced...pdf.jpgFröhlich, Katja Next generation HE-NMC cathodes for advanced lithium-ion batteriesThesis Hochschulschrift 2018
7McDermott Eamon - 2016 - Density functional theory study of complex metal oxide...pdf.jpgMcDermott, Eamon Density functional theory study of complex metal oxide surface reconstructionsThesis Hochschulschrift 2016
8Schmidtbauer, Hermine The adsorption mechanism of alkynol corrosion inhibitors on steel : quantum chemical calculations with WIEN2kThesis Hochschulschrift2013
9Koller David - 2013 - Excited states studied with density functional theory...pdf.jpgKoller, David Excited states studied with density functional theory using local and non-local potentialsThesis Hochschulschrift 2013
10Kabliman, Evgeniya DFT study of disorder in complex systemsThesis Hochschulschrift2011
11Haas, Philipp The generalized gradient approximation in solids and moleculesThesis Hochschulschrift2010
12Luitz, Joachim ; Hébert, Cécile ; Weinmeier, Kerstin ; Blaha, Peter ; Ambrosch-Draxl, Claudia ; Schattschneider, Peter DFTEM 2006, bringing together tow communities - International Conference on Density Functional Theory and Transmission Electron MicroscopyKonferenzband Proceedings2006
13Schweifer Johannes Michael - 2006 - A distributed computing environment for...pdf.jpgSchweifer, Johannes Michael A distributed computing environment for material sciencesThesis Hochschulschrift 2006
14Luitz, J. ; Hebert, Cecile ; Weinmeier, Kerstin ; Blaha, Peter ; Ambrosch-Draxl, Claudia ; Schattschneider, P. Proceedings of the International Conference on DFT + TEM 2006Konferenzband Proceedings2006
15Schmidt, Günther E. Strukturoptimierung von Kristallen mit WIEN2kThesis Hochschulschrift2005