59 citations · 247 across the 12 of their papers we have counts for
3 papers · 1 filter
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…
JARVIS-Leaderboard: A Large Scale Benchmark of Materials Design Methods
Kamal Choudhary, Daniel Wines, Kangming Li +35
Lack of rigorous reproducibility and validation are major hurdles for scientific development across many fields. Materials science in particular encompasses a variety of experiment…
Neural networks trained on synthetically generated crystals can extract structural information from ICSD powder X-ray diffractograms
Henrik Schopmans, Patrick Reiser, Pascal Friederich
Machine learning techniques have successfully been used to extract structural information such as the crystal space group from powder X-ray diffractograms. However, training direct…