TurboGAP turbogap_mw19999 https://turbogap.fi/wiki/index.php/TurboGAP MediaWiki 1.34.2 first-letter Media Special Talk User User talk TurboGAP TurboGAP talk File File talk MediaWiki MediaWiki talk Template Template talk Help Help talk Category Category talk 0 12 689 688 2026-04-03T04:53:03Z Miguel Caro 1 wikitext text/x-wiki {| class="wikitable" style="float:right; margin-left: 10px; width: 45%; margin-top: 0px;" | style="text-align: center;"| [[File:turbogap_logo.png|320px]] |- | '''What's new?''' |- | <div style = "height: 320px; overflow-y: scroll;" > '''02/04/2026''': On 23-24 March 2026, the '''TurboGAP''' team organized the [https://ocamm.fi/event/turbogap-school-2026 first TurboGAP School] at Aalto University. <center> [[File:group_pic_turbogap_school.jpg|240px]] </center> ----- '''11/06/2025''': There are new [[potentials]] available for P, CH, CO and AuPt:H. ----- '''10/06/2023''': There are new [[potentials]] available for Fe and Pt. ----- '''01/04/2022''': There is a new [[tutorials|tutorial]] available: [[Simulating icosahedral gold clusters]]. ----- '''28/02/2022''': We have added a [[potential]] for elemental gold. Potentials for C, Si and Au are now publicly available for use with TurboGAP, and many more are under development. ----- '''28/11/2021''': We have added a [[tutorials|tutorial]] on how to use barostating and van der Waals corrections in '''TurboGAP'''. ----- '''10/05/2021''': The '''TurboGAP''' repo has been made public. Expansion of this website will now take place rapidly. </div> |} 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 [http://github.com/libAtoms/soap_turbo soap_turbo] library for efficient construction of accurate SOAP-type many-body atomic descriptors. These can also be used in combination with the [http://libatoms.github.io QUIP/GAP code] or with '''TurboGAP''''s native interface. Thanks to QUIP/GAP, '''TurboGAP''''s <code>soap_turbo</code> 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 [https://miguelcaro.org Miguel Caro's group] at Aalto University. '''TurboGAP''' is free to use for non-commercial purposes, provided that you adhere to its [https://github.com/mcaroba/turbogap/blob/master/LICENSE.md 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]]. {| style="width: 80%" align="center" | [[File:Aalto_logo.png|200px]] | [[File:AKA_logo.jpg|200px]] | [[File:CSC_logo.png|150px]] | [[File:eu_funded_en.jpg|250px]] |} 1zk8d7xqatqd3fh8axf48hzvbsw1acz