Xiaohui Qu
0000-0001-5651-8405
Brookhaven National Laboratory
9 papers found
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In Situ Insights into Cathode Calcination for Predictive Synthesis: Kinetic Crystallization of LiNiO2 from Hydroxides
Multicode benchmark on simulated Ti K-edge x-ray absorption spectra of Ti-O compounds
Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files
Decoding structure-spectrum relationships with physically organized latent spaces
Uncertainty-aware predictions of molecular x-ray absorption spectra using neural network ensembles
Experimental and first-principles study of a metal–organic framework with sulfur embedding cathode for enhanced performance lithium–sulfur battery
Li2S–Embedded copper metal–organic framework cathode with superior electrochemical performance for Li–S batteries
Computational Design of New Magnesium Electrolytes with Improved Properties
Materials Genomics Screens for Adaptive Ion Transport Behavior by Redox-Switchable Microporous Polymer Membranes in Lithium–Sulfur Batteries
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