34 citations · 35 across the 3 of their papers we have counts for
3 papers
Discovering one molecule out of a million: inverse design of molecular hole transporting semiconductors tailored for perovskite solar cells
Jianchang Wu, Luca Torresi, ManMan Hu +17
The inverse design of tailored organic molecules for specific optoelectronic devices of high complexity holds an enormous potential, but has not yet been realized1,2. The complexit…
What is missing in autonomous discovery: Open challenges for the community
Phillip M. Maffettone, Pascal Friederich, Sterling G. Baird +16
Self-driving labs (SDLs) leverage combinations of artificial intelligence, automation, and advanced computing to accelerate scientific discovery. The promise of this field has give…
Graph neural networks for materials science and chemistry
Patrick Reiser, Marlen Neubert, André Eberhard +8
Machine learning plays an increasingly important role in many areas of chemistry and materials science, e.g. to predict materials properties, to accelerate simulations, to design n…