15 citations · 16 across the 2 of their papers we have counts for
2 papers
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…