119 citations · 429 across the 19 of their papers we have counts for
19 papers
Accurate GW frontier orbital energies of 134 kilo molecules
Artem Fediai, Patrick Reiser, Jorge Enrique Olivares Peña +2
The QM9 dataset [Scientific Data, Vol. 1, 140022 (2014)] became a standard dataset to benchmark machine learning methods, especially on molecular graphs. It contains geometries as…
Analyzing dynamical disorder for charge transport in organic semiconductors via machine learning
Patrick Reiser, Manuel Konrad, Artem Fediai +3
Organic semiconductors are indispensable for today's display technologies in form of organic light emitting diodes (OLEDs) and further optoelectronic applications. However, organic…
Origin of metallic conductance in a single-component molecular organic crystal
Tobias Schlöder, Wolfgang Wenzel
Since the discovery of the TTF-TCNQ charge transfer complex as the first metallic material composed of molecules, many other molecular metals were reported. It was however only rec…
The influence of impurities on the charge carrier mobility of small molecule organic semiconductors
Pascal Friederich, Artem Fediai, Jing Li +10
Amorphous organic semiconductors based on small molecules and polymers are used in many applications, most prominently organic light emitting diodes (OLEDs) and organic solar cells…
(4,4')-Bipyridine in Vacuo and in Solvents: A Quantum Chemical Study of a Prototypical Floppy Molecule From a Molecular Transport Perspective
Ioan Bâldea, Horst Köppel, Wonfgang Wenzel
We report results of quantum chemical calculations for the neutral and anionic species of (4,4{'})-bipyridine (44BPY), a prototypical molecule with a floppy degree of freedom, plac…
Catalytic sub-surface etching of nanoscale channels in graphite
Maya Lukas, Velimir Meded, Aravind Vijayaraghavan +5
Catalytic hydrogenation of graphite has recently attracted renewed attention, as a route for nano-patterning of graphene and to produce graphene nano-ribbons. These reports show th…