Difference between revisions of "TurboGAP"
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{| class="wikitable" style="float:right; margin-left: 10px; width: 45%; margin-top: 0px;" | {| class="wikitable" style="float:right; margin-left: 10px; width: 45%; margin-top: 0px;" | ||
| style="text-align: center;"| | | style="text-align: center;"| | ||
| + | [[File:turbogap_logo.png|320px]] | ||
| + | |- | ||
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'''What's new?''' | '''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. | '''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! | 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/ | + | '''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 developed in [https://miguelcaro.org Miguel Caro's group] at Aalto University. | ||
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{| style="width: 80%" align="center" | {| style="width: 80%" align="center" | ||
| − | | [[File:Aalto_logo.png| | + | | [[File:Aalto_logo.png|200px]] |
| [[File:AKA_logo.jpg|200px]] | | [[File:AKA_logo.jpg|200px]] | ||
| − | | [[File:CSC_logo.png| | + | | [[File:CSC_logo.png|150px]] |
| + | | [[File:eu_funded_en.jpg|250px]] | ||
|} | |} | ||
Latest revision as of 04:53, 3 April 2026
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What's new? |
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02/04/2026: On 23-24 March 2026, the TurboGAP team organized the first TurboGAP School at Aalto University.
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 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 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. |
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 soap_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's 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.
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