2 papers
physics.chem-ph2025
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…
physics.comp-ph2024
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…