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Hannes Jónsson

Hannes Jónsson

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Chemistry
Iceland
2026

D-Index & Metrics

Chemistry

D-Index
67
Citations
85611
World Ranking
6748
National Ranking
3

Research.com Recognitions

  • 2026 - Research.com Chemistry in Iceland Leader Award
  • 2025 - Research.com Chemistry in Iceland Leader Award
  • 2022 - Research.com Chemistry in Iceland Leader Award

Overview

Hannes Jónsson is affiliated with the University of Iceland in Iceland. Their research is primarily situated within the field of Physics and Astronomy, with particular focus on Atomic and Molecular Physics, and Optics, Materials Chemistry, Electrical and Electronic Engineering, Renewable Energy, Sustainability and the Environment, and Condensed Matter Physics.

The scientist's work addresses a variety of topics including Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Electrocatalysts for Energy Conversion, Machine Learning in Materials Science, Molecular Junctions and Nanostructures, Photochemistry and Electron Transfer Studies, and Magnetic properties of thin films.

Notable recent publications by Hannes Jónsson include:

  • "Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following", 2021, Journal of Chemical Theory and Computation
  • "GPAW: An open Python package for electronic structure calculations", 2024, The Journal of Chemical Physics
  • "Variational calculations of excited states via direct optimization of the orbitals in DFT", 2020, Faraday Discussions
  • "Coupled quasimonopoles in chiral magnets", 2020, Physical review. B./Physical review. B
  • "Method for Calculating Excited Electronic States Using Density Functionals and Direct Orbital Optimization with Real Space Grid or Plane Wave Basis Set", 2021, arXiv (Cornell University)

Jónsson frequently collaborates with several researchers, including:

  • Gianluca Levi
  • Yorick L. A. Schmerwitz
  • Elvar Ö. Jónsson
  • Aleksei V. Ivanov
  • Björn Kirchhoff

Their publications are often featured in the following venues:

  • arXiv (Cornell University)
  • Zenodo (CERN European Organization for Nuclear Research)
  • Journal of Chemical Theory and Computation
  • The Journal of Physical Chemistry Letters
  • Physical review. B./Physical review. B

Best Publications

  • A climbing image nudged elastic band method for finding saddle points and minimum energy paths

    Graeme Henkelman;Blas P. Uberuaga;Hannes Jónsson

  • Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode

    J. K. Nørskov;J. Rossmeisl;and A. Logadottir;L. Lindqvist

  • A fast and robust algorithm for Bader decomposition of charge density

    Graeme Andrew Henkelman;Andri Arnaldsson;Hannes Jónsson;Hannes Jónsson

  • Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

    Graeme Andrew Henkelman;Hannes Jónsson

  • A dimer method for finding saddle points on high dimensional potential surfaces using only first derivatives

    Graeme Henkelman;Hannes Jónsson

  • Reversible work transition state theory: application to dissociative adsorption of hydrogen

    Gregory Mills;Hannes Jónsson;Gregory K. Schenter

  • Reversible Work Transiton State Theory: Application to Dissociative Adsorption of Hydrogen

    Gregory Mills;Hannes Jonsson

  • A theoretical evaluation of possible transition metal electro-catalysts for N2 reduction

    Egill Skulason;Egill Skulason;Thomas Bligaard;Thomas Bligaard;Thomas Bligaard;Sigrıdur Gudmundsdottir;Felix Studt

  • Systematic analysis of local atomic structure combined with 3D computer graphics

    Daniel Faken;Hannes Jónsson

  • Modeling the Electrochemical Hydrogen Oxidation and Evolution Reactions on the Basis of Density Functional Theory Calculations

    Egill Skulason;Vladimir Tripkovic;Mårten Björketun;Sigridur Gudmundsdottir

  • Density functional theory calculations for the hydrogen evolution reaction in an electrochemical double layer on the Pt(111) electrode.

    Egill Skúlason;Egill Skúlason;Gustav S. Karlberg;Jan Rossmeisl;Thomas Bligaard;Thomas Bligaard

  • Quantum and Thermal Effects in H2 Dissociative Adsorption: Evaluation of Free Energy Barriers in Multidimensional Quantum Systems

    Greg Mills;Hannes Jónsson

  • NWChem: Past, Present, and Future

    E. Aprà;E. J. Bylaska;W. A. de Jong;N. Govind

  • NWChem: Past, present, and future

    E. Aprà;E. J. Bylaska;W. A. de Jong;N. Govind

  • Comparison of methods for finding saddle points without knowledge of the final states

    R. A. Olsen;G. J. Kroes;Graeme Andrew Henkelman;A. Arnaldsson

  • Icosahedral ordering in the Lennard-Jones liquid and glass.

    Hannes Jónsson;Hans C. Andersen

  • Long time scale kinetic Monte Carlo simulations without lattice approximation and predefined event table

    Graeme Henkelman;Hannes Jónsson

  • Structural changes accompanying densification of random hard-sphere packings

    Andrew S. Clarke;Hannes Jónsson

  • Improved initial guess for minimum energy path calculations

    Søren Smidstrup;Andreas Pedersen;Kurt Stokbro;Hannes Jónsson

  • Methods for Finding Saddle Points and Minimum Energy Paths

    Graeme Henkelman;Gísli Jóhannesson;Hannes Jónsson

Frequent Co-Authors

Graeme Henkelman
Graeme Henkelman The University of Texas at Austin
Tapio Ala-Nissila
Tapio Ala-Nissila Aalto University
Blas P. Uberuaga
Blas P. Uberuaga Los Alamos National Laboratory
Thomas Bligaard
Thomas Bligaard Technical University of Denmark
Jens K. Nørskov
Jens K. Nørskov Technical University of Denmark
Giacinto Scoles
Giacinto Scoles University of Udine
Stefan Blügel
Stefan Blügel Forschungszentrum Jülich
Jan Rossmeisl
Jan Rossmeisl University of Copenhagen
Aki Vehtari
Aki Vehtari Aalto University
Enrique R. Batista
Enrique R. Batista Los Alamos National Laboratory

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