Karsten W. Jacobsen

Research interests

Publications

• GPAW: An open Python package for electronic structure calculations

  The Journal of Chemical Physics · 2024 · https://doi.org/10.1063/5.0182685

• High-Entropy Alloys as a Discovery Platform for Electrocatalysis

  Joule · 2019 · https://doi.org/10.1016/j.joule.2018.12.015

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

  2D Materials · 2018 · https://doi.org/10.1088/2053-1583/aacfc1

• The atomic simulation environment—a Python library for working with atoms

  Journal of Physics Condensed Matter · 2017 · https://doi.org/10.1088/1361-648x/aa680e

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

  Physical Review B · 2012 · https://doi.org/10.1103/physrevb.85.235149

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

  Physical Review B · 2012 · https://doi.org/10.1103/physrevb.85.115317

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

  Journal of Physics Condensed Matter · 2010 · https://doi.org/10.1088/0953-8984/22/25/253202

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

  Physical Review B · 2005 · https://doi.org/10.1103/physrevb.71.035109

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

  Physical Review Letters · 2001 · https://doi.org/10.1103/physrevlett.87.026101

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

  Journal · 1998 · https://doi.org/10.1142/9789812839664_0016

• Softening of nanocrystalline metals at very small grain sizes

  Nature · 1998 · https://doi.org/10.1038/35328

Current projects

No projects listed.