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Wed 03 |
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Thu 04 |
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Chairperson: Ricardo Díez Muiño |
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09:00-09:20 |
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INVITED |
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Language models for the simulation of quantum many-body systems |
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Juan Carrasquilla Alvarez,
ETH Zurich, Switzerland |
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09:20-09:35 |
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Machine learning guided discovery of spin-resolved topological insulators |
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Alexander Tyner,
NORDITA, Sweden |
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09:35-09:50 |
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Evolutionary Recipe: Designing Single Molecule Magnets for Spintronics |
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Zahra Khatibi,
Trinity College Dublin , Ireland |
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09:50-10:05 |
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Deep Learning Electronic Fingerprints for Mapping Flat-Band Materials in 2D and 3D Databases |
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Artem Mishchenko,
The University of Manchester, UK |
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10:05-10:20 |
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Modeling heat transport in amorphous Ge2Sb2Te5 with a deep neural network interatomic potential |
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Luiz Felipe Pereira,
Universidade Federal de Pernambuco, Brazil |
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10:20-10:40 |
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INVITED |
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Data-driven advances in modelling and understanding amorphous materials |
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Volker Deringer,
University of Oxford, UK |
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10:40-11:15 |
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Coffee Break / Poster Session / Exhibition |
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Chairperson: Juan Carrasquilla Alvarez |
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11:15-11:45 |
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KEYNOTE |
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Higher-Order Pattern Recognition for Materials Informatics using Explainable Artificial Intelligence |
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Amanda Barnard,
Australian National University, Australia |
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11:45-12:05 |
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INVITED |
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Property directed generative design of inorganic materials |
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Kedar Hippalgaonkar,
Nanyang Technological University (NTU), Singapore |
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12:05-12:25 |
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INVITED |
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Accessing photoinduced reaction dynamics on surfaces with neural networks
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Maite Alducin,
CFM, Spain |
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12:25-12:45 |
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INVITED |
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Exploring New Frontiers in Inverse Materials Design through Graph Neural Networks and Large Language Models |
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Kamal Choudhary,
NIST, USA |
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Chairperson: Stephan Roche / Cormac Toher |
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14:15-14:30 |
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Predicting the synthesizability and properties of disordered materials by combining first-principles calculations with machine-learning |
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Cormac Toher,
The University of Texas at Dallas, USA |
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14:30-14:45 |
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An X-ray spectra simulations workflow based on machine learning: applications to Li-ion battery materials |
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Michael Alejandro Hernandez Bertran,
(1) FIM, University of Modena and Reggio Emilia, (2) Istituto Nanoscienze, Consiglio Nazionale delle Ricerche CNR, Italy |
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14:45-15:00 |
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AI-guided screening of van der Waals materials with high optical anisotropy |
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Ivan Kruglov,
Emerging Technologies Research Center, XPANCEO, United Arab Emirates |
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15:00-15:15 |
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Performance Assessment of Universal Machine Learning Interatomic Potentials: Challenges and Directions for Materials´ Surfaces |
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Gabriel Schleder,
Brazilian Nanotechnology National Laboratory (LNNano/CNPEM), Brazil |
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15:15-15:30 |
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Quest for outperforming cathode materials for Sodium-ion batteries |
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Martin Hoffmann Petersen,
Technical University of Denmark, Denmark |
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15:30 |
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Closing & AI4AM2025 announcement |
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