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Updated: Jun 16, 2025

Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics

Published on: April 12, 2019

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一个人工智能加速了电化学接口的初始分子动力学数据集.

Yong-Bin Zhuang1,2, Chang Liu3, Jia-Xin Zhu3

  • 1State Key Laboratory of Physical Chemistry of Solid Surfaces, iChEM, Department of Chemistry, College of Chemistry & Chemical Engineering, Xiamen University, Xiamen, 361005, China. yongbin.zhuang@epfl.ch.

Scientific data
|June 13, 2025
PubMed
概括

ElectroFace使用人工智能加速模拟为电化学接口提供了对原子尺度数据的开放访问. 这一数据集旨在通过克服数据碎片化来加强协作和加速电化学研究.

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Interfacial Electrochemical Methods: Overview01:06

Interfacial Electrochemical Methods: Overview

Interfacial electrochemical methods focus on the phenomena occurring at the boundary between an electrode and a solution, as opposed to bulk methods that concentrate on the solution's overall properties. These interfacial methods are classified as either static or dynamic based on the presence of a nonzero current in the electrochemical cell and the consistency of analyte concentrations. Static methods, such as potentiometry, measure the cell's potential without any significant current...
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Atomic Force Microscopy

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