Skip to content

VlachosGroup/Structure-Optimization

Folders and files

NameName
Last commit message
Last commit date

Latest commit

 

History

82 Commits
 
 
 
 
 
 
 
 
 
 
 
 
 
 

Repository files navigation

Catalyst Structure Optimization

Catalyst structure optimization using kinetic Monte Carlo and machine learning. It is applied to a model system of NH3 decomposition on NiPt.

Dependencies

Publications

Developers

About

Catalyst structure optimization using kinetic Monte Carlo and machine learning

Resources

License

Stars

Watchers

Forks

Releases

No releases published

Packages

No packages published

Languages