Cams Libraries

 

 

To help researchers begin their computational studies, we have collected here links and notes to useful atomic modeling software and databases. Check back as tutorials are posted for these different software suites.

The range of available software is vast! If you would like to see links here to other software please post in the forum. If you have questions about one of available software systems listed here, you can find a link to a dedicated forum thread in its listing.

Quantum ESPRESSO

Quantum opEn-Source Package for Research in Electronic Structure, Simulation, and Optimization

Quantum ESPRESSO is used for electronic structure calculations and nanoscale materials modeling.

Details and specifications:

  • Calculation: Density funcational theory, plane waves, pseudopotentials
  • Processor type: Single or parallel.
  • License: open source

External Links:

CAMS resources for using Quantum ESPRESSO.

 

 

Return to the atomic modeling software index.