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CECAM Node Workshop: 3rd GAP and (M)ACE Develope ... (No replies)

hheenen
7 months ago
hheenen 7 months ago

We are happy to announce the 3rd GAP and (M)ACE Developers & Users Meeting, taking place as a CECAM-DE-MMS Node workshop between 17-20 September 2024 at the Free University of Berlin, Germany.

The Gaussian Approximation Potential (GAP), the Atomic Cluster Expansion (ACE) and its message passing variant (MACE) are distinct, but closely related theoretical/methodological frameworks for predicting the properties (such as energies and forces) of an atomistic system using machine learning. These frameworks are implemented in a series of dedicated software packages that are basis for the development and application of these methods.

The GAP and (M)ACE Developers & Users Meeting will feature three main sessions:

- GAP, ACE and MACE School: fundamentals of theory and code
- Frontiers of method development: what's new?
- Frontiers in Molecular and Materials Modelling: exciting science enabled by GAP and (M)ACE

The list of invited speakers:

- Ralf Drautz (Ruhr University Bochum, GER)
- Geneviève Dusson (CNRS, France)
- James Kermode (University of Warwick, UK)
- Ilyes Batatia (University of Cambridge, UK)
- Noam Bernstein (NRL, USA; TBC)
- Cas van der Oord (University of Cambridge, UK)
- Volker Deringer (University of Oxford, UK)
- Eszter Varga-Umbrich (University of Cambridge, UK)
- Janine George (BAM & University of Jena, GER)
- Rina Ibragimova (Aalto University, Finland)
- Elena Gelzinyte (Fritz Haber Institute, GER)
- Christoph Ortner (University of British Columbia, Canada; TBC)

Registration deadline: 31st July 2024

We invite abstract submissions for contributed talks (20min) and posters.

For further information please follow the link to our official website:

https://gap-ml.org/du-meetings/du-meeting-2024/

Please register here:
https://www.cecam.org/workshop-details/gapmace-developers-users-meeting-2024-1266

Looking forward to welcoming you to Berlin,

The organizers:
Miguel Caro (Aalto University)
Gábor Csányi (University of Cambridge)
Hendrik Heenen (Fritz Haber Institute )
Johannes Margraf (University of Bayreuth)
Albert Bartók-Pártay (University of Warwick)




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Ab initio (from electronic structure) calculation of complex processes in materials