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.
Phonon Transport Simulator
PhonTS is a lattice dynamics code that calculates thermal conductivity using the phonon Boltzmann Transport Equation.
It has built in classical potentials and interfaces to other codes for external libraries of potentials
or first principle electronic structure calculation.
Details and specifications:
- Calculation: Lattice Dynamics
- Processor type: Single or parallel.
- License: Open source (GPL)
- Authors: List of main authors
CAMS resources for using PhonTS.
- Do you have questions about PhonTS? Post your questions at the PhonTS entry in the CAMS forum.
- Check back here for tutorials, notes, and sample output from using the PhonTS software.
Return to the atomic modeling software index