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cond-mat.mtrl-sci2021
Recent Progress of the Computational 2D Materials Database (C2DB)
M. N. Gjerding, A. Taghizadeh, A. Rasmussen +13
The C2DB is a highly curated open database organizing a wealth of computed properties for more than 4000 atomically thin two-dimensional (2D) materials. Here we report on new mater…
cond-mat.mtrl-sci2020
Towards fully automatized GW band structure calculations: What we can learn from 60.000 self-energy evaluations
Asbjørn Rasmussen, Thorsten Deilmann, Kristian S. Thygesen
We analyze a data set comprising 370 GW band structures composed of 61716 quasiparticle (QP) energies of two-dimensional (2D) materials spanning 14 crystal structures and 52 elemen…
cond-mat.mtrl-sci2018
Discovering new two-dimensional topological insulators from computational screening
Thomas Olsen, Erik Andersen, Takuya Okugawa +3
We have performed a computational screening of topological two-dimensional (2D) materials from the Computational 2D Materials Database (C2DB) employing density functional theory. A…