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Updated: Jun 8, 2025

Modeling Fast-scan Cyclic Voltammetry Data from Electrically Stimulated Dopamine Neurotransmission Data Using QNsim1.0
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QSLE-v1.0:一种新的软件包,用于计算基于随机方法的紧缩相中的合量子-经典动力学

Riccardo Cortivo1, Mirco Zerbetto1, Antonino Polimeno1

  • 1Department of Chemical Sciences, University of Padua, via Marzolo 1, Padova I-35131, Italy.

Journal of chemical theory and computation
|November 7, 2024
PubMed
概括

一种新的量子-静态Liouville方程 (QSLE) 方法模拟了凝聚相中的分子动力学. 开源QSLE-v1.0软件包简化了复杂的量子古典模拟,用于像光异构化这样的现象.

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