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CECAM workshop: Machine Learning of First Princi ... (No replies)

gelzinyte
8 months ago
gelzinyte 8 months ago

Dear All,

We are pleased to announce the CECAM flagship workshop on Machine Learning of First Principles Observables that will take place at the Zuse Institute Berlin July 8-12, 2024. (https://www.cecam.org/workshop-details/machine-learning-of-first-principles-observables-1322)

Machine Learning methods have recently found widespread use in areas of atomistic modelling, mainly focusing on developing surrogate models for the potential energy surface with superior computational efficiency while retaining first principles accuracy. However, approaches to learning observable properties directly are just emerging and are challenged by several issues, which we intend to address in the workshop. The event is meant to support the development of a new collaborative, international network connecting different fields of research and integrating the young researchers community with the help of a scientifically diverse, interactive workshop.

The workshop topics include:

- ML of electron density and Hamiltonians
- ML of electronic observables
- ML of mechanical & magnetic observables
- ML of spectroscopic observables
- ML of reaction networks
- Theoretical and experimental databases

Registration deadline: 19 April 2024

We invite abstract submissions for contributed talks (20 min) and posters. Online screening of the talks will be available with registration. For further details and registration, see the CECAM website.

We look forward to seeing you in Berlin!

Elena Gelžinytė
Angela Harper
Simone Koecher
Hanna Türk

 
 
 



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