Skip to content

mhsiron/atomate

master
Switch branches/tags
Code
This branch is 7 commits ahead, 866 commits behind hackingmaterials:master.
Contribute

Latest commit

 

Git stats

Files

Permalink
Failed to load latest commit information.
Type
Name
Latest commit message
Commit time
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 

atomate

atomate is a software for computational materials science that contains pre-built workflows to compute and analyze the properties of materials.

If you find atomate useful, please encourage its development by citing the following paper in your research output:

Mathew, K., Montoya, J. H., Faghaninia, A., Dwarakanath, S., Aykol, 
M., Tang, H., Chu, I., Smidt, T., Bocklund, B., Horton, M., Dagdelen, 
J., Wood, B., Liu, Z.-K., Neaton, J., Ong, S. P., Persson, K., Jain, 
A., Atomate: A high-level interface to generate, execute, and analyze 
computational materials science workflows. Comput. Mater. Sci. 139, 
140-152 (2017).

About

atomate is a powerful software for computational materials science and contains pre-built workflows.

Resources

License

Stars

Watchers

Forks

Packages

No packages published

Languages

  • Python 98.4%
  • Other 1.6%