World's Best Scientists 2026 revealed!
Peter Blaha

Peter Blaha

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Physics
Austria
2026

D-Index & Metrics

Physics

D-Index
96
Citations
50734
World Ranking
1845
National Ranking
8

Research.com Recognitions

  • 2026 - Research.com Physics in Austria Leader Award
  • 2025 - Research.com Physics in Austria Leader Award
  • 2023 - Research.com Physics in Austria Leader Award
  • 2022 - Research.com Physics in Austria Leader Award

Overview

Peter Blaha is affiliated with TU Wien in Austria and has contributed extensively to research in materials science and physics. Their work spans a variety of topics within these fields, frequently focusing on the theoretical and computational properties of solids and related materials.

Their recent publications include:

  • WIEN2k: An APW+lo program for calculating the properties of solids (2020, The Journal of Chemical Physics)
  • Giant spontaneous Hall effect in a nonmagnetic Weyl-Kondo semimetal (2021, Proceedings of the National Academy of Sciences)
  • How to verify the precision of density-functional-theory implementations via reproducible and universal workflows (2023, Nature Reviews Physics)
  • Shortcomings of meta-GGA functionals when describing magnetism (2020, Physical review. B./Physical review. B)
  • Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals (2021, arXiv (Cornell University))

Frequent collaborators in their research include Fabien Tran, Christoph Rameshan, Thomas Ruh, Andreas Nenning, and Lorenz Lindenthal. These partnerships reflect ongoing work in closely related subfields.

The scientist has published primarily in the following venues:

  • The Cambridge Structural Database
  • Physical review. B./Physical review. B
  • The Journal of Physical Chemistry C
  • The Journal of Chemical Physics
  • arXiv (Cornell University)

Peter Blaha's research intersects several fields of study, notably:

  • Materials Science
  • Physics and Astronomy

Within these, their work covers a range of subfields such as:

  • Materials Chemistry
  • Atomic and Molecular Physics, and Optics
  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Electrical and Electronic Engineering

The primary topics of their research include:

  • X-ray Diffraction in Crystallography
  • Crystallization and Solubility Studies
  • Machine Learning in Materials Science
  • Topological Materials and Phenomena
  • Rare-earth and actinide compounds
  • Magnetic and transport properties of perovskites and related materials
  • Advanced Chemical Physics Studies

Best Publications

  • Accurate band gaps of semiconductors and insulators with a semilocal exchange-correlation potential.

    Fabien Tran;Peter Blaha

  • WIEN2k: An Augmented Plane Wave Plus Local Orbitals Program for Calculating Crystal Properties

    Peter Blaha;Karlheinz Schwarz;Georg K. H. Madsen;Dieter Kvasnicka

  • Full-potential, linearized augmented plane wave programs for crystalline systems

    P. Blaha;K. Schwarz;P. Sorantin;S.B. Trickey

  • WIEN2k: An APW+lo program for calculating the properties of solids

    Peter Blaha;Karlheinz Schwarz;Fabien Tran;Robert Laskowski

  • Electronic structure calculations of solids using the WIEN2k package for material sciences

    K. Schwarz;P. Blaha;G.K.H. Madsen

  • Solid state calculations using WIEN2k

    Karlheinz Schwarz;Peter Blaha

  • Reproducibility in density functional theory calculations of solids

    Kurt Lejaeghere;Gustav Bihlmayer;Torbjörn Björkman;Torbjörn Björkman;Peter Blaha

  • Efficient linearization of the augmented plane-wave method

    Georg K. H. Madsen;Peter Blaha;Karlheinz Schwarz;Elisabeth Sjöstedt

  • Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation

    John P. Perdew;Stefan Kurth;Aleš Zupan;Peter Blaha

  • Calculation of the lattice constant of solids with semilocal functionals

    Philipp Haas;Fabien Tran;Peter Blaha

  • Merits and limits of the modified Becke-Johnson exchange potential

    David Koller;Fabien Tran;Peter Blaha

  • Molecular and solid‐state tests of density functional approximations: LSD, GGAs, and meta‐GGAs

    Stefan Kurth;John P. Perdew;Peter Blaha

  • Improving the modified Becke-Johnson exchange potential

    David Koller;Fabien Tran;Peter Blaha

  • Lattice dynamics and hyperfine interactions in ZnO and ZnSe at high external pressures.

    H. Karzel;W. Potzel;M. Köfferlein;W. Schiessl

  • Hybrid exchange-correlation energy functionals for strongly correlated electrons: Applications to transition-metal monoxides

    Fabien Tran;Peter Blaha;Karlheinz Schwarz;Pavel Novák

  • Applications of Engel and Vosko's generalized gradient approximation in solids.

    Philipp Dufek;Peter Blaha;Karlheinz Schwarz

  • Performance on molecules, surfaces, and solids of the Wu-Cohen GGA exchange-correlation energy functional

    Fabien Tran;Robert Laskowski;Peter Blaha;Karlheinz Schwarz

  • Band gap calculations with Becke?Johnson exchange potential

    Fabien Tran;Peter Blaha;Karlheinz Schwarz

  • Improving the efficiency of FP-LAPW calculations

    Max Petersen;Frank Wagner;Lars Hufnagel;Matthias Scheffler

  • Towards efficient band structure and effective mass calculations for III-V direct band-gap semiconductors

    Yoon-Suk Kim;Martijn Marsman;Georg Kresse;Fabien Tran

Frequent Co-Authors

Claudia Ambrosch-Draxl
Claudia Ambrosch-Draxl Humboldt-Universität zu Berlin
Eli Rotenberg
Eli Rotenberg Lawrence Berkeley National Laboratory
David J. Singh
David J. Singh University of Missouri
Renata M. Wentzcovitch
Renata M. Wentzcovitch Columbia University
Laurence Marks
Laurence Marks Northwestern University
Georg Kresse
Georg Kresse University of Vienna
Thomas Greber
Thomas Greber University of Zurich

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