59 citations · 114 across the 5 of their papers we have counts for
5 papers
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…
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…
Descriptors of intrinsic hydrodynamic thermal transport: screening a phonon database in a machine learning approach
Pol Torres, Stephen Wu, Shenghong Ju +4
Machine learning techniques are used to explore the intrinsic origins of the hydrodynamic thermal transport and to find new materials interesting for science and engineering. The h…
Recreation of the Periodic Table with an Unsupervised Machine Learning Algorithm
Minoru Kusaba, Chang Liu, Yukinori Koyama +2
In 1869, the first draft of the periodic table was published by Russian chemist Dmitri Mendeleev. In terms of data science, his achievement can be viewed as a successful example of…
Exploring diamond-like lattice thermal conductivity crystals via feature-based transfer learning
Shenghong Ju, Ryo Yoshida, Chang Liu +3
Ultrahigh lattice thermal conductivity materials hold great importance since they play a critical role in the thermal management of electronic and optical devices. Models using mac…