1.2k citations · 1.8k across the 16 of their papers we have counts for
17 papers
Numerical Quality Control for DFT-based Materials Databases
Christian Carbogno, Kristian Sommer Thygesen, Björn Bieniek +10
Electronic-structure theory is a strong pillar of materials science. Many different computer codes that employ different approaches are used by the community to solve various scien…
Definition of a scoring parameter to identify low-dimensional materials components
Peter Mahler Larsen, Mohnish Pandey, Mikkel Strange +1
The last decade has seen intense research in materials with reduced dimensionality. The low dimensionality leads to interesting electronic behavior due to electronic confinement an…
The Computational 2D Materials Database: High-Throughput Modeling and Discovery of Atomically Thin Crystals
Sten Haastrup, Mikkel Strange, Mohnish Pandey +12
We introduce the Computational 2D Materials Database (C2DB), which organises a variety of structural, thermodynamic, elastic, electronic, magnetic, and optical properties of around…
Complex band structure and electronic transmission
Anders Jensen, Mikkel Strange, Søren Smidstrup +3
The function of nano-scale devices critically depends on the choice of materials. For electron transport junctions it is natural to characterize the materials by their conductance…
On the illusory connection between cross-conjugation and quantum interference
Kim G. L. Pedersen, Anders Borges, Per Hedegård +2
Quantum interference, be it destructive or constructive, has a substantial influence on the magnitude of molecular conductance and consequently there is significant interest in pre…
Interference enhanced thermoelectricity in quinoid type structures
M. Strange, J. S. Seldenthuis, C. J. O. Verzijl +2
Quantum interference (QI) effects in molecular junctions may be used to obtain large thermoelectric responses. We study the electrical conductance G and the thermoelec- tric respon…