Thermal conductivity of hydrous wadsleyite determined by non-equilibrium molecular dynamics based on machine learning

This repository contains data used in "Thermal conductivity of hydrous wadsleyite determined by non-equilibrium molecular dynamics based on machine learning" submitted by Dong Wang, Zhongqing Wu and Xin Deng. Figure S4 : "MLP test-Energy" in <strong>Data for Figures.xlsx</strong>、<strong>MLP test-force.txt</strong> Figure 1 : "MLP test-NEMD" in <strong>Data for Figures.xlsx</strong> Figure 3 : "Modeing" in <strong>Data for Figures.xlsx</strong>本数据集仓库收录了王东、吴中庆与邓昕提交的题为"基于机器学习的非平衡分子动力学法测定含水瓦兹利石热导率"的论文中所用的实验数据。其中，图S4对应的"多层感知机（Multi-Layer Perceptron，MLP）测试-能量"数据存储于<Data for Figures.xlsx>与<MLP test-force.txt>文件中；图1对应的"MLP测试-NEMD"数据存储于<Data for Figures.xlsx>文件中；图3对应的"建模"数据存储于<Data for Figures.xlsx>文件中。