77 citations · 113 across the 2 of their papers we have counts for
2 papers
cs.LG2022★ 36 cited
Graph Machine Learning for Design of High-Octane Fuels
Jan G. Rittig, Martin Ritzert, Artur M. Schweidtmann +7
Fuels with high-knock resistance enable modern spark-ignition engines to achieve high efficiency and thus low CO2 emissions. Identification of molecules with desired autoignition p…
cond-mat.mtrl-sci2013★ 77 cited
Space Charge Transfer in Hybrid Inorganic/Organic Systems
Yong Xu, Oliver T. Hofmann, Raphael Schlesinger +9
We discuss density functional theory calculations of hybrid inorganic/organic systems (HIOS) that explicitly include the global effects of doping (i.e. position of the Fermi level)…