86 citations · 190 across the 10 of their papers we have counts for
10 papers
Atomic-scale Mapping Unravel Anisotropic Dissolution Behaviors of Gibbsite Nanosheets
Xiaoxu Li, Qing Guo, Yatong Zhao +11
This study examines the anisotropic dissolution of the basal plane gibbsite (γ-Al(OH)3) nanoplates in sodium hydroxide solution using in situ atomic force microscopy (AFM) and dens…
Machine learning assisted phase and size-controlled synthesis of iron oxides
Juejing Liu, Zimeng Zhang, Xiaoxu Li +15
The controllable synthesis of iron oxides particles is a critical issue for materials science, energy storage, biomedical applications, environmental science, and earth science. Ho…
Machine Learning Automated Approach for Enormous Synchrotron X-Ray Diffraction Data Interpretation
Xiaodong Zhao, YiXuan Luo, Juejing Liu +6
Manual analysis of XRD data is usually laborious and time consuming. The deep neural network (DNN) based models trained by synthetic XRD patterns are proved to be an automatic, acc…
Periodic Plane-Wave Electronic Structure Calculations on Quantum Computers
Duo Song, Nicholas P. Bauman, Guen Prawiroatmodjo +7
A procedure for defining virtual spaces, and the periodic one-electron and two-electron integrals, for plane-wave second quantized Hamiltonians has been developed and demonstrated…
Temperature Dependence of Self-diffusion in Cr2O3 from First Principles
Bharat Medasani, Maria L. Sushko, Kevin M. Rosso +2
Understanding and predicting the dominant diffusion processes in Cr2O3 is essential to its optimization for anti-corrosion coatings, spintronics, and other applications. Despite si…
Effect of structure and composition on the electronic excitation induced amorphization of LaTiZrO ceramics
Michel Sassi, Tiffany Kaspar, Kevin M. Rosso +1
Understanding the response of ceramics operating in extreme environments is of interest for a variety of applications. Ab initio molecular dynamic simulations have been used to inv…