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Data for: Exploring the polymorphism of dicalcium silicates using transfer learning enhanced machine learning atomic potentials

Name: Data for: Exploring the polymorphism of dicalcium silicates using transfer learning enhanced machine learning atomic potentials
Creator: Univeristy of the Basque Country UPV/EHU
Published: 2024-03-08T00:00:00+08:00

Zenodo2024-03-08 更新2026-04-07 收录

多晶型预测

机器学习原子势

数据链接：

https://zenodo.org/doi/10.5281/zenodo.10796240 数据链接链接失效反馈

官方服务：

资源简介：

DFT dataset for dicalcium silicates.

应用场景：

提供机构：

Univeristy of the Basque Country UPV/EHU

创建时间：

2024-03-08

多晶型预测

晶体工程

The macroscopic properties of molecular materials can be drastically influenced by their solid-state packing arrangements, of which there can be many (e.g., polymorphism). Strategies to controllably a

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有机化合物晶体

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多晶型预测

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