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More importantly, through a quantitative study, we revealed that the alignment between the signal processing frequency of the RC and the characteristic time of the dynamics of the nonlinear system plays a crucial role in this physical reservoir\u2019s performance, directly influencing the efficiency in the task execution, the reservoir states and the memory capacity. The processing frequency range was further modulated by the characteristic time of the dynamic system, resulting in an implementation akin to a \u2018chemically-tuned band-pass filter\u2019 for selective frequency processing. Our study thus elucidates the fundamental requirements and dynamic underpinnings of the non-steady-state charge transport dynamic system for RC, laying a foundational groundwork for the application of dynamical molecular scale devices for <jats:italic>in-materia<\/jats:italic> neuromorphic computing.<\/jats:p>","DOI":"10.1088\/2634-4386\/ad54eb","type":"journal-article","created":{"date-parts":[[2024,6,6]],"date-time":"2024-06-06T22:24:46Z","timestamp":1717712686000},"page":"024014","update-policy":"https:\/\/doi.org\/10.1088\/crossmark-policy","source":"Crossref","is-referenced-by-count":4,"title":["Exploring non-steady-state charge transport dynamics in information processing: insights from reservoir computing"],"prefix":"10.1088","volume":"4","author":[{"given":"Zheyang","family":"Li","sequence":"first","affiliation":[]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5750-7003","authenticated-orcid":true,"given":"Xi","family":"Yu","sequence":"additional","affiliation":[]}],"member":"266","published-online":{"date-parts":[[2024,6,19]]},"reference":[{"key":"ncead54ebbib1","doi-asserted-by":"publisher","first-page":"409","DOI":"10.1146\/annurev.pc.41.100190.002205","article-title":"Nonlinear dynamics and thermodynamics of chemical reactions far from equilibrium","volume":"41","author":"Hunt","year":"1990","journal-title":"Annu. 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