# A General Molecular-Scale Dynamic Memristor Model Based on Non-equilibrium Charge Transport Kinetics and Its Information Processing Capability in Reservoir Computing Source: [A General Molecular-Scale Dynamic Memristor Model Based on Non-equilibrium Charge Transport Kinetics and Its Information Processing Capability in Reservoir Computing]() Collection index: [llms.txt]() Data updated: 2026-05-20T05:00:20.896Z Authors: Yueqi Chen, Xuan Ji, Xi Yu Published: 2025-08-25T13:30:46.000Z ## Abstract Non-equilibrium molecular-scale dynamics, where fast electron transport couples with slow chemical state evolution, underpins the complex behaviors of molecular memristors, yet a general model linking these dynamics to neuromorphic computing remains elusive. We introduce a dynamic memristor model that integrates Landauer and Marcus electron transport theories with the kinetics of slow processes, such as proton/ion migration or conformational changes. This framework reproduces experimental conductance hysteresis and emulates synaptic functions like short-term plasticity (STP) and spike-timing-dependent plasticity (STDP). By incorporating the model into a reservoir computing (RC) architecture, we show that computational performance optimizes when input frequency and bias mapping range align with the molecular system's intrinsic kinetics. This chemistry-centric, bottom-up approach provides a theoretical foundation for molecular-scale neuromorphic computing, demonstrating how non-equilibrium molecular-scale dynamics can drive information processing in the post-Moore era. ## Recorded benchmark results A research result applies to its stated dataset, split, metric and evaluation configuration. Compare like-for-like settings, preserve the metric's unit and direction, and distinguish paper-reported results from independent reproduction. The best result recorded here is not a claim of exhaustive, current global coverage. ## Original sources and implementation [Original paper]() [PDF]()