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 Data for Figures.xlsx、MLP test-force.txt Figure 1 : "MLP test-NEMD" in Data for Figures.xlsx Figure 3 : "Modeing" in Data for Figures.xlsx