Ogre datasets
Published: 13 April 2020| Version 1 | DOI: 10.17632/g7rd93z4f2.1
Contributors:
Shuyang Yang, Imanuel Bier, Wen Wen, Jiawei Zhan, Saeed Moayedpour, Noa MaromDescription
This dataset contains the DFT calculation results of aspirin, tetracene and HMX surfaces.
Files
Institutions
- Carnegie Mellon University College of Engineering
Categories
Computational Materials Science