FAU_Dataset

NIAID Data Ecosystem2026-05-10 收录

硬碳热传输模拟

机器学习势

数据链接：

https://data.mendeley.com/datasets/358b7pkg8z 数据链接链接失效反馈

官方服务：

资源简介：

The Dataset includes the input file for reproducing the results of paper titled "Thermal transport in hard carbon using machine learning potential".

创建时间：

2026-01-27

Hydrolysis-argyrodite

机器学习势

材料科学

Deciphering Surface Hydrolysis Mechanism in Argyrodite via Large-Scale Machine Learning Potential SimulationsThis dataset contains all simulation and validation files associated with the paper “Dec

DataCite Commons2025-12-12 更新50

Datasets from "Electrostatic Embedding of Machine Learning potentials" article

机器学习势

静电嵌入

Data required to reproduce results in "Electrostatic embedding of machine learning potentials" article. See https://github.com/emedio/embedding for details. QM7_B3LYP_cc-pVTZ.tgz - outputs of sin

NIAID Data Ecosystem30

机器学习势

电解质材料计算

Reference training and test datasets, trained ML potential models, and input scripts for the training (Allegro) and MD simulations (LAMMPS).

Zenodo2024-10-29 更新20

Hydrolysis-argyrodite

固体电解质界面

机器学习势

Deciphering Surface Hydrolysis Mechanism in Argyrodite via Large-Scale Machine Learning Potential SimulationsThis dataset contains all simulation and validation files associated with the paper “Deciph

Figshare2025-12-08 更新30

DATA - Exploring Lithium Diffusion in LiF with Machine Learning Potentials: From Point Defects to Collective Ring Diffusion

扩散模拟

机器学习势

This dataset accompanies the article Exploring Lithium Diffusion in LiF with Machine Learning Potentials: From Point Defects to Collective Ring Diffusion (DOI: https://doi.org/10.1038/s41524-026-02132

Zenodo2026-05-13 更新20

FAU_Dataset

资源简介：

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