2 papers
cond-mat.mtrl-sci2023
GPAW: An open Python package for electronic-structure calculations
Jens Jørgen Mortensen, Ask Hjorth Larsen, Mikael Kuisma +44
We review the GPAW open-source Python package for electronic structure calculations. GPAW is based on the projector-augmented wave method and can solve the self-consistent density…
cond-mat.mtrl-sci2023
Emergent properties of van der Waals bilayers revealed by computational stacking
Sahar Pakdel, Asbjørn Rasmussen, Alireza Taghizadeh +3
Stacking of two-dimensional (2D) materials has emerged as a facile strategy for realising exotic quantum states of matter and engineering electronic properties. Yet, developments b…