Kristian S. Thygesen

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

• Engineering covalently bonded 2D layered materials by self-intercalation

  Nature · 2020 · https://doi.org/10.1038/s41586-020-2241-9

• High oscillator strength interlayer excitons in two-dimensional heterostructures for mid-infrared photodetection

  Nature Nanotechnology · 2020 · https://doi.org/10.1038/s41565-020-0717-2

• 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

• Computational 2D Materials Database: Electronic Structure of Transition-Metal Dichalcogenides and Oxides

  The Journal of Physical Chemistry C · 2015 · https://doi.org/10.1021/acs.jpcc.5b02950

• 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

Current projects

No projects listed.