102 citations · 115 across the 7 of their papers we have counts for
Showing 2023Show all
2 papers · 1 filter
cond-mat.mtrl-sci2023★ 102 cited
A generative artificial intelligence framework based on a molecular diffusion model for the design of metal-organic frameworks for carbon capture
Hyun Park, Xiaoli Yan, Ruijie Zhu +5
Metal-organic frameworks (MOFs) exhibit great promise for CO2 capture. However, finding the best performing materials poses computational and experimental grand challenges in view…
cs.LG2023
A framework for fully autonomous design of materials via multiobjective optimization and active learning: challenges and next steps
Tyler H. Chang, Jakob R. Elias, Stefan M. Wild +2
In order to deploy machine learning in a real-world self-driving laboratory where data acquisition is costly and there are multiple competing design criteria, systems need to be ab…