617 citations · 1.8k across the 38 of their papers we have counts for
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Capturing long-range interaction with reciprocal space neural network
Hongyu Yu, Liangliang Hong, Shiyou Chen +2
Machine Learning (ML) interatomic models and potentials have been widely employed in simulations of materials. Long-range interactions often dominate in some ionic systems whose dy…
Two-Dimensional Organic-Inorganic Room-Temperature Multiferroic
Yali Yang, Junyi Ji, Junsheng Feng +3
Organic-inorganic multiferroics are promising for the next generation of electronic devices. To date, dozens of organic-inorganic multiferroics have been reported; however, most of…
Effective Lifetime of Non-Equilibrium Carriers in Semiconductors from Non-Adiabatic Molecular Dynamics Simulations
Shanshan Wang, Menglin Huang, Yu-Ning Wu +6
The lifetime of non-equilibrium electrons and holes in semiconductors is crucial for solar cell and optoelectronic applications. Non-adiabatic molecular dynamics (NAMD) simulations…
DASP: Defect and Dopant ab-initio Simulation Package
Menglin Huang, Zhengneng Zheng, Zhenxing Dai +5
In order to perform automated calculations of defect and dopant properties in semiconductors and insulators, we developed a software package, Defect and Dopant ab-initio Simulation…