976 citations · 1k across the 4 of their papers we have counts for
4 papers
Robust Machine Learning Inference from X-ray Absorption Near Edge Spectra through Featurization
Yiming Chen, Chi Chen, Inhui Hwang +9
X-ray absorption spectroscopy (XAS) is a commonly-employed technique for characterizing functional materials. In particular, x-ray absorption near edge spectra (XANES) encodes loca…
Random Forest Models for Accurate Identification of Coordination Environments from X-ray Absorption Near-Edge Structure
Chen Zheng, Chi Chen, Yiming Chen +1
Analyzing coordination environments using X-ray absorption spectroscopy has broad applications ranging from solid-state physics to material chemistry. Here, we show that random for…
A Performance and Cost Assessment of Machine Learning Interatomic Potentials
Yunxing Zuo, Chi Chen, Xiangguo Li +8
Machine learning of the quantitative relationship between local environment descriptors and the potential energy surface of a system of atoms has emerged as a new frontier in the d…
Automated Generation and Ensemble-Learned Matching of X-ray Absorption Spectra
Chen Zheng, Kiran Mathew, Chi Chen +9
We report the development of XASdb, a large database of computed reference X-ray absorption spectra (XAS), and a novel Ensemble-Learned Spectra IdEntification (ELSIE) algorithm for…