1 code implementation • 15 Feb 2024 • Henry W. Sprueill, Carl Edwards, Khushbu Agarwal, Mariefel V. Olarte, Udishnu Sanyal, Conrad Johnston, Hongbin Liu, Heng Ji, Sutanay Choudhury
The discovery of new catalysts is essential for the design of new and more efficient chemical processes in order to transition to a sustainable future.
1 code implementation • 22 Oct 2023 • Henry W. Sprueill, Carl Edwards, Mariefel V. Olarte, Udishnu Sanyal, Heng Ji, Sutanay Choudhury
Discovering novel catalysts requires complex reasoning involving multiple chemical properties and resultant trade-offs, leading to a combinatorial growth in the search space.