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Wed 09 |
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Thu 10 |
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Chairperson: Florian Marquardt (FAU, Germany) |
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09:00-09:20 |
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Ömer H. Omar (University of Liverpool, UK) - CANCELLED |
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09:20-09:35 |
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Machine Learning for Accelerated Discovery of Superionic Solids |
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Artem Maevskiy,
National University of Singapore, Singapore |
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09:35-09:50 |
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Predicting Crystal Structures and Ionic Conductivity in Mixed-Halide Solid Electrolytes Using Machine Learning Potentials |
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Aurelie Champagne,
CNRS - ICMCB, France |
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09:50-10:10 |
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INVITED |
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Data-Driven Materials Design |
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Janine George,
CMD@BAM, Germany |
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10:10-10:25 |
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Orbital-free density functional theory for periodic solids: Construction of the Pauli potential |
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Giovanni Vignale,
IFIM, Singapore |
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10:25-10:40 |
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Unlocking 3D Nanoparticle Shapes from 2D HRTEM images: classification and denoising at atomic resolution |
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Amara Hakim,
ONERA, France |
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10:40-11:35 |
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Coffee Break / Poster session / Exhibition |
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Chairperson: Emigdio Chavez (Catalan Institute of Nanoscience and Nanotechnology, Spain) |
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11:35-11:55 |
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INVITED |
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AI discovering Strategies for Quantum Technologies |
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Florian Marquardt,
FAU, Germany |
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11:55-12:15 |
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INVITED |
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ML-Density and energy optimized exchange and correlation functionals for density functional theory |
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Maria Fernandez-Serra,
Stony Brook University, USA |
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12:15-12:35 |
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INVITED |
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Response properties of inorganic materials from high-throughput density-functional perturbation theory and machine-learning |
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Gian-Marco Rignanese,
UCLouvain, Belgium |
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12:35-12:50 |
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Diagonalization without Diagonalization: A Direct Optimization Approach for Solid-State Density Functional Theory |
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Stephen Dale,
IFIM, Singapore |
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Chairperson: Aurelie Champagne (CNRS - ICMCB, France) |
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14:15-14:30 |
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ML-driven Thermal Sensing Using FTIR Spectroscopy |
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Emigdio Chavez,
Catalan Institute of Nanoscience and Nanotechnology, Spain |
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14:30-14:45 |
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Crystal Site Disorder Analysis with Machine-Learned Atomic Potentials and Statistical Methods |
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Andy Paul Chen,
Nanyang Technological University, Singapore |
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14:45-15:00 |
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Synergistic Integration of Bayesian Optimization and Advanced Simulation Tools for Plasmonic Performance Enhancement |
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José Luis Montaño-Priede,
Centro de Física de Materiales, Spain |
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15:00-15:15 |
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OpenSemanticLab - Linked-Data-Platform with agentic AI workflows |
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Andreas Räder,
Fraunhofer Institute for Silicate Research ISC, Germany |
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15:15-15:30 |
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Leveraging Machine Learning to Navigate Complex Design Spaces in Battery Material Development |
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Seon-Hwa Lee,
POSCO Research Institute for Future Technology, South Korea |
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15:30-15:45 |
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Li-ion battery design through microstructural optimization using generative AI |
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Samuel John Cooper,
Imperial College London, UK |
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15:45-16:00 |
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Optimizing DFT Hybrid Functionals for 2D Materials Using Genetic Algorithms |
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María Camarasa-Gómez,
Centro de Física de Materiales CFM/MPC (CSIC-UPV/EHU), Spain |
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16:00 |
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Closing & AI4AM2026 announcement |
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Chairperson: Jose Hugo Garcia (ICN2, Spain) - TBC |
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09:00-09:20 |
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INVITED |
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Machine Learning Design of Low-Dimensional Hybrid Metal Halides with Perovskite Structure Type |
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Romain Gautier,
IMN, France |
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09:20-09:40 |
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INVITED |
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AI-Driven Protocol for 2D Materials Growth: Integrating Adaptive Synthesis and Spectral Analysis |
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Antonio Rossi,
IIT, Italy |
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09:40-10:00 |
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INVITED |
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Maskterial: A Foundation Model for 2D Material Flake Detection from Optical Images |
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Jan-Lucas Uslu,
Stanford University, USA |
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10:00-10:15 |
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Generative adversarial networks for inverse design of two-dimensional topological insulators |
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Alexander Tyner,
NORDITA, Sweden |
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10:15-11:00 |
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Coffee Break / Poster session / Exhibition |
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Chairperson: Chiara Zanardi (Ca´ Foscari University of Venice , Italy) |
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11:00-11:20 |
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INVITED |
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Inference based model Hamiltonians balancing accuracy, interpretability and data efficiency |
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Simon Dubois,
UCL, Belgium |
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11:20-11:35 |
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Enhancing Bacterial Detection by Harnessing Graphene Transistors´ Latent Features with Deep Learning |
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Felipe Yamada,
INESC TEC, University of Porto, Portugal |
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11:35-11:50 |
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Towards the computational design of molecular olfactory receptors for digital odor detection |
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Li Chen,
TU Dresden, Germany |
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11:50-12:05 |
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New Techniques for Materials Space Exploration |
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Ganna Gryn´ova,
University of Birmingham, UK |
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