TurboGAP

From TurboGAP
Jump to navigation Jump to search

What's new?

10/05/2021: The TurboGAP repo has been made public. Expansion of this website will now take place rapidly.

Welcome to the official TurboGAP website!

TurboGAP is a Fortran code that offers different levels of functionality for machine-learning driven atomistic simulation. The main functionality is provided via the GAP_turbo library for efficient construction of accurate SOAP-type many-body atomic descriptors. These can also be used in combination with the QUIP/GAP code or with TurboGAP's native interface. Thanks to QUIP/GAP, TurboGAP soap_turbo descriptors can be used to run MD simulations with LAMMPS. Together with the libraries and the native interface, we also provide a list of interatomic potentials to be used with the code.

TurboGAP is developed in Miguel Caro's group at Aalto University.

TurboGAP is free to use for non-commercial purposes, provided that you adhere to its license. If you want to use TurboGAP for commercial purposes, or purposes not covered by the TurboGAP non-commercial license, please contact the TurboGAP team.

Aalto logo.png AKA logo.jpg CSC logo.png