92 citations · 226 across the 12 of their papers we have counts for
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cond-mat.mtrl-sci2022
Pair distribution function analysis for oxide defect identification through feature extraction and supervised learning
Shuyan Zhang, Jie Gong, Sharon Chu +3
Feature extraction and a neural network model are applied to predict the defect types and concentrations in experimental TiO samples. A dataset of TiO structures with vacan…
cond-mat.mtrl-sci2022★ 1 cited
Pair distribution function analysis driven by atomistic simulations: Application to microwave radiation synthesized TiO and ZrO
Shuyan Zhang, Jie Gong, Daniel Xiao +2
A workflow is presented for performing pair distribution function (PDF) analysis of defected materials using structures generated from atomistic simulations. A large collection of…
cond-mat.mes-hall2022★ 15 cited
Simulations of Heat Transport in Single-Molecule Junctions: Investigations of the Thermal Diode Effect
Jonathan J. Wang, Jie Gong, Alan J. H. McGaughey +1
With the objective to understand microscopic principles governing thermal energy flow in nanojunctions, we study phononic heat transport through metal-molecule-metal junctions usin…