TurboGAP

TurboGAP is an innovative platform developed by Miguel Caro's research group at Aalto University, designed to enhance machine-learning driven atomistic simulations. At its core, TurboGAP utilizes the soap_turbo library, providing a sophisticated framework for the construction of accurate SOAP-type many-body atomic descriptors. These descriptors are instrumental for executing molecular dynamics (MD) simulations, particularly when integrated with the QUIP/GAP framework and LAMMPS software.

TurboGAP offers a range of interatomic potentials that users can leverage freely for non-commercial projects, promoting research and development in advanced materials science. Users can access a growing library of available potentials, including those for elements such as iron, platinum, carbon, silicon, and gold. The platform is continuously evolving, with new tutorials and features aimed at enhancing user experience and expanding its capabilities. As an open-source initiative, TurboGAP fosters collaboration and innovation in the scientific community, making it a valuable tool for researchers and developers alike.