9 citations · 12 across the 4 of their papers we have counts for
4 papers
Synchronous Differential Hot-charge Emission Spectroscopy: The Principle
Xuan Ji, Wen Chen, Xi Yu
Energy-level alignment (ELA) at buried interfaces between electrode and molecular materials sets charge injection barriers, carrier selectivity, and ultimately device efficiency, y…
A General Molecular-Scale Dynamic Memristor Model Based on Non-equilibrium Charge Transport Kinetics and Its Information Processing Capability in Reservoir Computing
Yueqi Chen, Xuan Ji, Xi Yu
Non-equilibrium molecular-scale dynamics, where fast electron transport couples with slow chemical state evolution, underpins the complex behaviors of molecular memristors, yet a g…
A Three-Tiered Hierarchical Computational Framework Bridging Molecular Systems and Junction-Level Charge Transport
Xuan Ji, Qiang Qi, Yueqi Chen +2
The Non-Equilibrium Green's Function (NEGF) method combined with ab initio calculations has been widely used to study charge transport in molecular junctions. However, the signific…
Farthest Point Sampling in Property Designated Chemical Feature Space as a General Strategy for Enhancing the Machine Learning Model Performance for Small Scale Chemical Dataset
Yuze Liu, Xi Yu
Machine learning model development in chemistry and materials science often grapples with the challenge of small scale, unbalanced labelled datasets, a common limitation in scienti…