59 citations · 114 across the 5 of their papers we have counts for
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q-bio.BM2022
Bayesian Sequential Stacking Algorithm for Concurrently Designing Molecules and Synthetic Reaction Networks
Qi Zhang, Chang Liu, Stephen Wu +1
In the last few years, de novo molecular design using machine learning has made great technical progress but its practical deployment has not been as successful. This is mostly owi…
cond-mat.mtrl-sci2022★ 59 cited
Crystal structure prediction with machine learning-based element substitution
Minoru Kusaba, Chang Liu, Ryo Yoshida
The prediction of energetically stable crystal structures formed by a given chemical composition is a central problem in solid-state physics. In principle, the crystalline state of…