Property Packages

Whether you are working on an in-depth study or a large scale screening, MedeA integrates the advanced computational codes you need. The result is a simple set up for complex computational procedures.

Medea takes care of setting up the required series of structures and parameters to get to materials properties. The JobServer guarantees that results are stored safely. Intelligent Restart features avoid wasting time by only redoing missing steps, due to rare hardware or network failures.

Efficient parsing and data gathering results in concise results in appropriate units.
Compare structures with their heat of formation in kJ/mol, instead of converting between Hartree, eV and Rydberg, getting lost between primitive cells and supercells.