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Wed 20 |
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Thu 21 |
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08:45-09:00 |
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Opening Ceremony |
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Plenary Session - Auditorium |
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Chairperson: Stephan Roche (ICREA/ICN2, Spain) |
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09:00-09:45 |
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PLENARY |
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The Material Science of Catalysis |
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Michele Parrinello,
IIT, Italy |
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09:45-10:15 |
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KEYNOTE |
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Inverse Materials Design |
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Aron Walsh,
Imperial College London, UK |
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10:15-11:00 |
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Coffee Break / Poster Session /Exhibition |
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Chairperson: Peter Klein (Fraunhofer ITWM, Germany) |
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11:00-11:20 |
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INVITED |
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Quantum-Inspired Tensor Networks for Materials Simulation and AI Applications |
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Saeed Jahromi,
Multiverse Computing & DIPC, Spain |
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11:20-11:40 |
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INVITED |
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Accelerating the Discovery Loop: Production-Ready Tools for GPU-Powered Materials Science |
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Piero Altoe,
NVIDIA, Italy |
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11:40-12:00 |
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INVITED |
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Learning the language of crystal chemistry: How methods from natural language can help discover new materials |
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Keith Butler,
University College London, UK |
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12:00-12:15 |
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Multi-objective Materials Discovery using Weighted Preference Optimization |
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Andrew Salij,
Los Alamos National Laboratory, USA |
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12:15-12:30 |
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Data-driven discovery of novel materials for smart electronic devices |
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Valentyn Volkov,
XPANCEO, United Arab Emirates |
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12:30-12:45 |
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Uncertainty-Aware Machine Learning Discovery of Solid–Solid Phase Transitions in Inorganic Materials |
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Claudio Cazorla ,
ICREA (Institut Català de Recerca i Estudis Avançats), Spain |
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12:45-13:00 |
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LLM-Enabled MOFs Discovery: Bridging Rational Design and Laboratory Realization |
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Ge Wang,
University of Science and Technology Beijing, China |
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13:00-14:00 |
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Cocktail lunch (offered by AI4AM2026 organisers) |
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14:00-14:30 |
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Poster Session 1 / Exhibition |
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Chairperson: Luiz Felipe C. Pereira (Universidade Federal de Pernambuco, Brasil) - TBC |
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14:30-14:50 |
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INVITED |
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Advances in active learning for materials optimisation |
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Milica Todorovic,
University of Turku, Finland |
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14:50-15:10 |
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INVITED |
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Machine Learning Surrogate Models
of Electronic Structure
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Reinhard Maurer,
University of Warwick, UK |
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15:10-15:25 |
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Multi-fidelity machine learning interatomic potentials for charged point defects |
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Xinwei Wang,
Imperial College London, UK |
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15:25-15:40 |
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Machine Learning Potentials with Experimental Data in the Loop |
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Julija Zavadlav,
Technical University of Munich, Germany |
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15:40-15:55 |
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Transferable Machine-Learned Potentials for Vibrational Dynamics from Acene Crystals to Single-Molecule Host–Guest Systems |
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Burak Gurlek,
Max Planck Institute for the Structure and Dynamics of Matter, Germany |
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15:55-16:15 |
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INVITED |
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Machine learned force fields: status and challenges in 2026 |
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Gabor Csanyi,
University of Cambridge, UK |
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16:15-16:45 |
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Coffee Break / Poster Session |
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Chairperson: Piero Altoe (NVIDIA, Italy) |
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16:45-17:15 |
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KEYNOTE |
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Knowledge Centric AI for Scientific Discovery |
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Carla P. Gomes,
Cornell University, USA |
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17:15-17:35 |
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INVITED |
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Machine Learning for Optimized E2E Advanced Materials Lifecycle - Materials Design, Development, Analytics & Testing |
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Elmar Bonaccurso,
Airbus, France |
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17:35-17:50 |
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High-throughput laser synthesis and active learning for optimization of luminescent materials |
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Simon Delacroix,
Ecole Polytechnique , France |
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17:50-18:10 |
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INVITED |
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Accelerating the discovery of van der Waals quantum materials using AI |
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Trevor David Rhone,
Rensselaer Polytechnic Institute, USA |
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18:10-18:30 |
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INVITED |
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MaterialsCommons and FAIR workflows for federated discovery of advanced materials |
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Tejs Vegge,
Technical University of Denmark, Denmark |
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20:30 |
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Conference Dinner
Restaurant Panamera Madrid
Calle de Fernández de la Hoz, 57
28003 - Madrid
More Info / Google Maps |
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