2 papers
physics.chem-ph2023
Catalysis distillation neural network for the few shot open catalyst challenge
Bowen Deng
The integration of artificial intelligence and science has resulted in substantial progress in computational chemistry methods for the design and discovery of novel catalysts. None…
cs.LG2022
ULSA: Unified Language of Synthesis Actions for Representation of Synthesis Protocols
Zheren Wang, Kevin Cruse, Yuxing Fei +7
Applying AI power to predict syntheses of novel materials requires high-quality, large-scale datasets. Extraction of synthesis information from scientific publications is still cha…