Data for "Accessing thermal conductivity of complex compounds by machine learning interatomic potentials"

NIAID Data Ecosystem2026-03-11 收录

材料热导率

原子间势机器学习

数据链接：

https://data.mendeley.com/datasets/t6hz579sry 数据链接链接失效反馈

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资源简介：

Input files and raw output

创建时间：

2019-07-11

MLIP Arena

原子间势机器学习

材料科学基准

MLIP Arena是一个公开的、可访问的基准平台，用于评估机器学习原子间势（MLIP）的性能。该数据集包含了1000种不同的晶体结构，用于评估MLIP在非平衡条件下的渐近行为、极端条件下的稳定性和反应性、分布偏移下的鲁棒性以及预测热力学性质和物理现象的能力。该数据集旨在解决现有基准数据集存在的问题，例如数据泄露、可迁移性有限以及过度依赖与特定密度泛函理论（DFT）参考相关的基于误差的指标。MLI

arXiv2025-09-25 更新1150

Data on thermal conductivity of second-generation composite made from recycled fiberglass wind turbine blades considering the influence of wood fiber content

材料热导率

风力涡轮机叶片回收

This article presents data on the thermal conductivity of second-generation composites fabricated from recycled wind turbine blades.

Mendeley Data20

Data from the paper "Improving Aqueous Metal Salt Interactions using Machine Learned Interatomic Potentials"

原子间势机器学习

水溶液金属盐模拟

This contains the datasets and models from MLIP training for aqueous arsenic and magnesium salts. From the paper "Improving Aqueous Metal Salt Interactions using Machine Learned Interatomic Potentials

Zenodo2025-08-13 更新20

Temperature dependence of the thermal conductivity of hydroxide catalysis bonds between silicon substrates

材料热导率

硅基键合技术

Measured thermal conductivity of hydroxide catalysis bonded silicon samples

DataCite Commons2023-07-18 更新40

CA-9, a dataset of carbon allotropes for training and testing of neural netwo...

同素异形体

原子间势机器学习

The use of machine learning to accelerate computer simulations is on the rise. In atomistic simulations, the use of machine learning interatomic potentials (ML-IAPs) can...

B2FIND20

Data for "Accessing thermal conductivity of complex compounds by machine learning interatomic potentials"

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相关数据集