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.
Genetic Algorithm for Structure Prediction
GASP predicts the structure and composition of phase for crystals, molecules, atomic clusters,
and defects from first principles. It interfaces to many energy codes.
Details and specifications:
- Calculation: Genetic Algorithm
- Processor type: Single or parallel.
- License: Open source (GPL)
- Lead developers: William W. Tipton, Ben Revard, Stewart Wenner, Richard G. Hennig
CAMS resources for using GASP.
- Do you have questions about GASP? Post your questions at the GASP entry in the CAMS forum.
- Check back here for tutorials, notes, and sample output from using the GASP software.
Return to the atomic modeling software index