3 citations · 5 across the 4 of their papers we have counts for
4 papers
Beyond Drug Discovery: The Nanotechnology Molecular Optimization (NMO) Benchmark
Matthias Blaschke, Daniel Kienzle, Zsuzsanna Koczor-Benda +3
Generative molecular design is shaped by simple proxy benchmarks for drug-like properties and models pretrained on large pharmaceutical datasets. This combination yields strong ben…
Stretching helical molecular springs: the peculiar evolution of electron transport in helicene junctions
Anil Kumar Singh, Yuta Ito, León Martin +10
Single-molecule junctions represent electromechanical systems at the edge of device miniaturization. Despite extensive studies on the interplay between mechanical manipulation and…
Classifying destructive quantum interference in molecular junctions: Towards molecular quantum rulers
Lukas Krieger, Gert-Ludwig Ingold, Fabian Pauly
Destructive quantum interference in molecular junctions might be used to build molecular quantum rulers, allowing to quantify changes in external control parameters electrically. F…
Revealing molecule-internal mechanisms that control phonon heat transport through single-molecule junctions by a genetic algorithm
Matthias Blaschke, Fabian Pauly
Measurements of the thermal conductance of single-molecule junctions have recently been reported for the first time. It is presently unclear, how much the heat transport can be con…