通过材料项目加速数据驱动的材料科学
Matthew K Horton1,2, Patrick Huck1, Ruo Xi Yang1
1Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, CA, USA.
Nature materials
|July 3, 2025
概括
材料项目通过使用高通量计算和开放数据加速材料发现. 这一平台对于研究人员来说已经变得至关重要,它促进了数据驱动材料科学的更具协作性和可访问性的领域.
科学领域:
- 材料科学 材料科学 材料科学
- 计算科学 计算科学
- 数据科学数据科学数据科学
背景情况:
- 材料项目成立于2011年,旨在推动材料的发现.
- 它已经发展成为全球超过60万名材料研究人员的关键资源.
- 该项目利用高通量计算和开放数据原则.
研究的目的:
- 描述材料项目的对数据驱动材料科学的影响.
- 突出其作为数据平台和软件生态系统的作用.
- 讨论其对可持续软件和协作研究的贡献.
主要方法:
- 使用高通量计算来进行材料属性预测.
- 开发和维护一个开源软件生态系统.
- 聚合并提供对材料数据的开放访问.
主要成果:
- 通过计算方法加速材料设计.
- 促进了功能材料的发现和理解.
- 通过基础设施和应用程序更新支持不断增长的用户群.
结论:
- 材料项目已经显著塑造了数据驱动的材料科学.
- 持续开发旨在提高可访问性和协作.
- 通过开放数据实现材料知识的民主化是一个关键的愿景.
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