Kristian S. Thygesen

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

Ask Hjorth Larsen, Jens Jørgen Mortensen, Jakob Blomqvist et al. · Journal of Physics Condensed Matter · 2017 · 4.3K citations · Full text

Engineering, Material Simulation, Simulation +19

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

Jussi Enkovaara, C. Rostgaard, J. J. Mortensen et al. · Journal of Physics Condensed Matter · 2010 · 2.3K citations

Gpaw Program Package, Engineering, Unique Feature Gpaw +17

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

Sten Haastrup, Mikkel Strange, Mohnish Pandey et al. · 2D Materials · 2018 · 1.1K citations · Full text

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

Filip Rasmussen, Kristian S. Thygesen · The Journal of Physical Chemistry C · 2015 · 1.1K citations · Full text

Electrical conductivity in Li2O2 and its role in determining capacity limitations in non-aqueous Li-O2 batteries

Venkatasubramanian Viswanathan, Kristian S. Thygesen, Jens S. Hummelshøj et al. · The Journal of Chemical Physics · 2011 · 568 citations · Full text