Last Update:2023/08/30

Official site


CC-BY 4.0

Core Developers

Chris Wolverton’s group (Northwestern University)

Physical quantities that can be computed
  • Formation energy
  • Band gap
Related App

Please cite the following references when you use the OQMD.

1. Saal, J. E., Kirklin, S., Aykol, M., Meredig, B., and Wolverton, C. “Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)”, JOM 65, 1501-1509 (2013).

2. Kirklin, S., Saal, J.E., Meredig, B., Thompson, A., Doak, J.W., Aykol, M., Rühl, S. and Wolverton, C. “The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies”, npj Comput. Mater. 1, 15010 (2015).