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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.