Peter Blaha

TU Wien

Austria

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Articles (14)

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2024

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2024

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2023

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2023

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2023

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2022

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2022

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2022

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2022

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2022

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2022

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2021

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2021

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2021

Collaborators (11)

Oleg Rubel

Assistant Professor

McMaster University

CANADA

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Matthias Krack

Head of the Multiscale Materials Modelling Group

Paul Scherrer Institut

SWITZERLAND

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Stefaan Cottenier

Professor at Ghent University

Ghent University

BELGIUM

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Andreas Rydh

Stockholm University

SWEDEN

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Georg Kent Hellerup Madsen

TU Wien

AUSTRIA

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Manfred Wildner

Assoc.-Prof., Univ.-Doz

Universität Wien

AUSTRIA

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Péter Kovács

TU Wien

AUSTRIA

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Austin Zadoks

EPFL (École Polytechnique Fédérale de Lausanne)

SWITZERLAND

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Nikolas Kaltsoyannis

University College London

UNITED KINGDOM

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Matthäus Siebenhofer

TU Wien

AUSTRIA

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Jiali Chen

The University of Manchester

UNITED KINGDOM

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Peter Blaha

Research Interests

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Articles (14)

CoTeO4 – a wide-bandgap material adopting the dirutile structure type

Engineering surface dipoles on mixed conducting oxides with ultra-thin oxide decoration layers

DFT + U Simulation of the X-ray Absorption Near-Edge Structure of Bulk UO2 and PuO2

How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

Origin of the success of mGGAs for bandgaps

Length-Gauge Optical Matrix Elements in WIEN2k

What is the optimal mGGA exchange functional for solids?

Erratum: Implementation of self-consistent MGGA functionals in augmented plane wave based methods [Phys. Rev. B 105 , 195138 (2022)]

Implementation of self-consistent MGGA functionals in augmented plane wave based methods

Dedication: Commemorative Issue in Honor of Professor Karlheinz Schwarz on the Occasion of His 80th Birthday

WloopPHI: A tool for ab initio characterization of Weyl semimetals

Stress tensor in the linearized augmented plane wave method

Density Functional Theory Study of Metal and Metal-Oxide Nucleation and Growth on the Anatase TiO2(101) Surface

Density analysis for estimating the degree of on-site correlation on transition-metal atoms in extended systems

Collaborators (11)

Oleg Rubel

Matthias Krack

Stefaan Cottenier

Andreas Rydh

Georg Kent Hellerup Madsen

Manfred Wildner

Péter Kovács

Austin Zadoks

Nikolas Kaltsoyannis

Matthäus Siebenhofer

Jiali Chen

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