San Sebastián, Spain
October 19-22, 2027

- PROGRAM -

Workshop 01: Foundation and universal interatomic potentials

 
Shyue Ping Ong
NUS
Singapore
 
Shyue Ping Ong NUS (Singapore)
Quantifying Uncertainty in Uncertainty Quantification for Machine Learning Interatomic Potentials

Workshop 02: AI for chemistry and energy materials (batteries, catalysis, photovoltaics)

 
Nongnuch Artrith
Utrecht University
The Netherlands
Ralf Drautz
Ruhr-Universität Bochum
Germany
Ganna Gryn'ova
University of Birmingham
UK
 

Workshop 03: AI for BioMatter: Designing Molecules, Materials, and Medicine

 
Fernanda Duarte
University of Oxford
UK
Olexandr Isayev
Carnegie Mellon University
USA
Julija Zavadlav
Technical University of Munich
Germany
 
Julija Zavadlav Technical University of Munich (Germany)
Implicit Solvent Machine Learning Potentials for Biomolecular Simulations

Workshop 04: AI for Quantum materials and Quantum Technologies

 
Kamal Choudhary
Johns Hopkins University
USA
Eunah Kim
Cornell University
USA
 
Kamal Choudhary Johns Hopkins University (USA)
Generative Digital Twins for Materials: From DiffractGPT and MicroscopyGPT to Closed-Loop Characterization
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