Karsten Wedel Jacobsen

Research.com Recognitions

• 2026 - Research.com Materials Science in Denmark Leader Award
• 2025 - Research.com Materials Science in Denmark Leader Award
• 2023 - Research.com Materials Science in Denmark Leader Award
• 2022 - Research.com Materials Science in Denmark Leader Award

Overview

Best Publications

• The Atomic Simulation Environment - A Python library for working with atoms

  Ask Hjorth Larsen;Ask Hjorth Larsen;Jens Jørgen Mortensen;Jakob Blomqvist;Ivano E. Castelli

  4368
  Citations

• Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

  J. Enkovaara;Carsten Rostgaard;Jens Jørgen Mortensen;Jingzhe Chen

  2484
  Citations

• Real-space grid implementation of the projector augmented wave method

  Jens Jørgen Mortensen;Lars Bruno Hansen;Karsten Wedel Jacobsen

  2344
  Citations

• Nudged elastic band method for finding minimum energy paths of transitions

  Hannes Jonsson;G. Mills;Karsten Wedel Jacobsen

  2167
  Citations

• Softening of nanocrystalline metals at very small grain sizes

  Jakob Schiøtz;Francesco Di Tolla;Karsten Wedel Jacobsen

  2144
  Citations

• A Maximum in the Strength of Nanocrystalline Copper

  Jakob Schiøtz;Karsten Wedel Jacobsen

  1719
  Citations

• Density functionals for surface science: Exchange-correlation model development with Bayesian error estimation

  Jess Wellendorff;Keld T. Lundgaard;Andreas Møgelhøj;Andreas Møgelhøj;Vivien Petzold

  1605
  Citations

• An object-oriented scripting interface to a legacy electronic structure code

  S.R. Bahn;K.W. Jacobsen

  1584
  Citations

• Phonon-limited mobility in n -type single-layer MoS 2 from first principles

  Kristen Kaasbjerg;Kristian S. Thygesen;Karsten W. Jacobsen

  1430
  Citations

• The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals

  Sten Haastrup;Mikkel Strange;Mohnish Pandey;Thorsten Deilmann

  1130
  Citations

• Interatomic interactions in the effective-medium theory

  K. W. Jacobsen;J. K. Norskov;Martti J. Puska

  1120
  Citations

• High-Entropy Alloys as a Discovery Platform for Electrocatalysis

  Thomas A.A. Batchelor;Jack K. Pedersen;Simon H. Winther;Ivano E. Castelli

  856
  Citations

• Atomic-scale simulations of the mechanical deformation of nanocrystalline metals

  J. Schiøtz;T. Vegge;F. D. Di Tolla;K. W. Jacobsen

  804
  Citations

• One-Dimensional Metallic Edge States in MoS2

  Mikkel Bollinger;J.V. Lauritsen;Karsten Wedel Jacobsen;Jens Kehlet Nørskov

  707
  Citations

• Graphene on metals: A van der Waals density functional study

  M. Vanin;J. J. Mortensen;A. K. Kelkkanen;J. M. Garcia-Lastra

  569
  Citations

• Quantized conductance in an atom-sized point contact.

  L. Olesen;E. Laegsgaard;I. Stensgaard;Flemming Besenbacher

  569
  Citations

• Mechanical Properties and Formation Mechanisms of a Wire of Single Gold Atoms

  G. Rubio-Bollinger;Sune Rastad Bahn;N. Agrait;Karsten Wedel Jacobsen

  538
  Citations

• Phase diagrams for surface alloys

  Asbjørn Christensen;Andrei Ruban;Per Stoltze;Karsten Wedel Jacobsen

  522
  Citations

• Atomic-scale insight into structure and morphology changes of MoS2 nanoclusters in hydrotreating catalysts

  J.V. Lauritsen;M.V. Bollinger;E. Lægsgaard;K.W. Jacobsen

  489
  Citations

• Computational screening of perovskite metal oxides for optimal solar light capture

  Ivano E. Castelli;Thomas Olsen;Soumendu Datta;David D. Landis

  489
  Citations

• Communications: Elementary oxygen electrode reactions in the aprotic Li-air battery

  J. S. Hummelshøj;J. Blomqvist;S. Datta;T. Vegge

  482
  Citations