相关实验视频

Updated: Jun 28, 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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管理期望和不平衡的训练数据在反应力场的发展:一个应用到水吸附在的应用

Loïc Dumortier1,2, Céline Chizallet3, Benoit Creton1

  • 1IFP Energies nouvelles, 1 et 4 Avenue de Bois-Préau, 92852 Rueil-Malmaison, France.

Journal of chemical theory and computation
|April 19, 2024
PubMed
概括

本研究介绍了平衡损失,这是优化ReaxFF参数的新方法. 它通过管理多样化的训练数据来改进力量场的发展,从而对化学系统进行更准确的模拟,比如水对.

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Experimental Multiscale Methodology for Predicting Material Fouling Resistance09:13

Experimental Multiscale Methodology for Predicting Material Fouling Resistance

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Atomic Force Microscopy Cantilever-Based Nanoindentation: Mechanical Property Measurements at the Nanoscale in Air and Fluid08:58

Atomic Force Microscopy Cantilever-Based Nanoindentation: Mechanical Property Measurements at the Nanoscale in Air and Fluid

Published on: December 2, 2022

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相关概念视频

Typical Model Studies01:30

Typical Model Studies

Fluid mechanics model studies often utilize scaled-down systems to predict fluid behavior in full-scale environments, such as river flows, dam spillways, and structures interacting with open surfaces. Maintaining Froude number similarity in river models is crucial, as it replicates surface flow features like wave patterns and velocities.
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