102 citations · 111 across the 2 of their papers we have counts for
2 papers
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…
cond-mat.mtrl-sci2022★ 9 cited
End-to-end AI framework for interpretable prediction of molecular and crystal properties
Hyun Park, Ruijie Zhu, E. A. Huerta +3
We introduce an end-to-end computational framework that allows for hyperparameter optimization using the DeepHyper library, accelerated model training, and interpretable AI inferen…