Per S. Schmidt
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View article: Reply to comment on ‘The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals’
Reply to comment on ‘The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals’ Open
In his comment Maździarz 2019 ( 2D Mater . 6 048001) raises doubts concerning the reliability of our test for dynamical (in particular elastic) stability of monolayer materials, which neglects the shear components of the stiffness tensor a…
View article: The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals
The Computational 2D Materials Database: high-throughput modeling and discovery of atomically thin crystals Open
We introduce the Computational 2D Materials Database (C2DB), which organises\na variety of structural, thermodynamic, elastic, electronic, magnetic, and\noptical properties of around 1500 two-dimensional materials distributed over\nmore th…
View article: Benchmark Database of Transition Metal Surface and Adsorption Energies\n from Many-Body Perturbation Theory
Benchmark Database of Transition Metal Surface and Adsorption Energies\n from Many-Body Perturbation Theory Open
We present an extensive set of surface and chemisorption energies calculated\nusing state of the art many-body perturbation theory. In the first part of the\npaper we consider ten surface reactions in the low coverage regime where\nexperim…
View article: Benchmark Database of Transition Metal Surface and Adsorption Energies from Many-Body Perturbation Theory
Benchmark Database of Transition Metal Surface and Adsorption Energies from Many-Body Perturbation Theory Open
We present an extensive set of surface and chemisorption energies calculated using state of the art many-body perturbation theory. In the first part of the paper we consider ten surface reactions in the low coverage regime where experiment…