Callaghan Sarah
Cell Press, 50 Hampshire St., Cambridge, MA, USA.
Patterns (N Y). 2021 Apr 9;2(4):100239. doi: 10.1016/j.patter.2021.100239.
Metal-organic frameworks (MOFs) are a class of chemical compounds used for the storage of gases such as hydrogen and carbon dioxide. They also have potential applications in gas purification, catalysis and as supercapacitors. A database of quantum-chemical properties for over 14,000 MOF structures (the "QMOF database") has been created and made available to the community along with code for machine learning and other related resources.
金属有机框架(MOF)是一类用于储存氢气和二氧化碳等气体的化合物。它们在气体净化、催化以及作为超级电容器方面也有潜在应用。已经创建了一个包含超过14000种MOF结构的量子化学性质数据库(“QMOF数据库”),并将其连同机器学习代码和其他相关资源一起提供给社区。