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Wed 20 |
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Thu 21 |
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Plenary Session - Auditorium |
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Chairperson: Yousung Jung (Seoul National University, South Korea) |
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09:00-09:15 |
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Polarons and charge-transfer excitations from grand-canonical neural networks |
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Libor Vojacek,
Paul Scherrer Institute PSI, Switzerland |
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09:15-09:30 |
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Neural network kinetics: exploring diffusion multiplicity and chemical ordering in compositionally complex materials |
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Penghui Cao,
University of California, Irvine, USA |
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09:30-09:45 |
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Artificial Neural Network–Assisted Electrochemical Sensors for Reliable Biomarker Analysis in Complex Fluids |
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Vincenzo Palermo,
CNR, Italy |
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09:45-10:00 |
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The Polymer Chemical Linguist: polyBERT´s Role in Next-Generation Polymer Informatics |
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Christopher Kuenneth,
University of Bayreuth, Germany |
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10:00-10:20 |
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INVITED |
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Data-driven Materials Science for Energy-Sustainable Applications |
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Jacqueline Cole,
University of Cambridge, UK |
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10:20-11:00 |
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Coffee Break / Poster Session /Exhibition |
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Chairperson: Jacqueline Cole (University of Cambridge, UK) |
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11:00-11:20 |
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INVITED |
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AI for Synthesizable Materials Discovery: From Prediction to Autonomous Design |
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Yousung Jung,
Seoul National University, South Korea |
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11:20-11:40 |
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INVITED |
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AI-assisted design of functional polymers for a sustainable world |
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Rampi Ramprasad,
Georgia Tech, USA |
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11:40-11:55 |
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Modelling and simulation of magnetic materials via AI-driven workflows |
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Dorye L. Esteras,
ICN2, Spain |
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11:55-12:10 |
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High-Throughput Materials Informatics Integrating Ab Initio, Machine Learning and CALPHAD Data |
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Moritz to Baben,
GTT-Technologies, Germany |
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12:10-12:30 |
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INVITED |
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AI-enhanced design for additive manufacturing of bioinspired, smart and living materials and devices |
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Andrés Díaz Lantada,
UPM/IMDEA Materiales, Spain |
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12:30-13:15 |
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Round Table: AI for IAM in Europe, South Korea and USA |
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13:15-14:00 |
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Cocktail lunch (offered by AI4AM2026 organisers) |
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14:00-14:30 |
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Poster Session 2 / Exhibition |
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Parallel Session - Seniors I - Auditorium - AI for Sustainable & Smart Materials |
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Chairperson: Andrés Díaz Lantada (UPM/IMDEA Materiales, Spain) |
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14:30-14:45 |
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Automated Extraction of Multicomponent Alloy Data Using Large Language Models for Sustainable Design |
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Rohit Batra,
IIT Madras, India |
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14:45-15:00 |
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Data Protection and Trade Secrets in AI-Powered Materials Databases: An Integrated Legal Framework |
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Joaquín Muñoz Rodríguez,
Bird & Bird LLP, Spain |
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15:00-15:15 |
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What Spin Glasses Teach Us About AI Architecture |
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Andrey Ustyuzhanin,
Constructor University, Germany |
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15:15-15:30 |
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Evolutionary Coding Agents for Autonomous Optimization of Scientific Software and Metallurgical Design |
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Daniel Marchand,
SINTEF, Norway |
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15:30-15:45 |
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A correlation-based optimization model to recover lost and distorted data from scanning tunneling microscopy images based on density functional theory |
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Ehsan Moradpur Tari,
University of Tartu Institute of Technology, Estonia |
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15:45-16:00 |
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Physics-Informed Neural Networks in Materials Science: a framework for optimization, symmetry identification, and inverse design |
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Sergio Gutiérrez Rodrigo,
Universidad de Zaragoza / INMA, Spain |
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16:00-16:15 |
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Predicting ionic motion in solids using transfer learning |
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Sai Gautam Gopalakrishnan,
Indian Institute of Science, India |
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Parallel Session - Seniors II – Room C - Machine Learning for Materials Modeling & Simulation |
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Chairperson: Wanqi Zhou (nanoGUNE, Spain) |
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14:30-14:45 |
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Bayesian Calibration with Optimized Surrogate Models for Materials and Engineering |
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Christina Schenk,
IMDEA Materials Institute, Spain |
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14:45-15:00 |
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Machine-Learning Interatomic Potentials for the Investigation of Solid Electrolyte Interphase Formation |
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Andrey Golov,
CIC Energigune, Spain |
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15:00-15:15 |
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AI-Driven Molecular Discovery through Automated Dataset Generation and Execution |
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Sergi Vela,
Institut de Química Avançada de Catalunya (IQAC-CSIC), Spain |
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15:15-15:30 |
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Understanding the nucleation and growth of borophene on substrate using Machine Learning Tools |
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Bousige Colin,
Lab. of Multimaterials and Interfaces, Univ. Lyon1 / CNRS, France |
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15:30-15:45 |
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Accelerating the structural and chemical characterization of nanostructured materials under reaction conditions with ML-guided Grand Canonical Global Optimization |
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Albert Bruix,
Universitat de Barcelona, Spain |
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15:45-16:00 |
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Exploring dopant effects on cathode synthesizeability and voltage stability with high-throughput ML |
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Richard Tran,
Entalpic, France |
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16:00-16:15 |
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Graph models and fine-tuned machine learning potentials for microkinetic analyses in heterogeneous catalysis |
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Raffaele Cheula,
Aarhus University, Denmark |
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Parallel Session - Seniors III – Room D - Data-Driven Innovation & Knowledge Graphs in Materials |
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Chairperson: Raquel Gonzalez Arrabal (Universidad Politécnica de Madrid, Spain) |
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14:30-14:45 |
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Ontology Extraction for Electric Drive Materials Using AI Agents |
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Lukas Powalla,
Robert Bosch GmbH, Germany |
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14:45-15:00 |
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ALPmat: A Platform for Collaborative AI-driven Advanced Materials Design |
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Natalia Bedoya,
Materials Center Leoben Forschung GmbH (MCL), Austria |
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15:00-15:15 |
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Hybrid AI–Physics Discovery of Ionic Liquids Under Industrial Carbon Capture Constraints |
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Alexander Lobo,
BCG X AI Science Institute, USA |
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15:15-15:30 |
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Towards Self-Organizing Research Data: Multi-Agent AI for Autonomous Knowledge Graph Operations based on Object-Oriented Linked Data |
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Simon Stier,
Fraunhofer ISC, Germany |
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15:30-15:45 |
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Generative AI for Materials Discovery and SSbD-Driven Material Selection: From Inverse Design to Knowledge Extraction for Faster Validation |
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Santiago Muiños Landin,
AIMEN Techology Centre, Spain |
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15:45-16:00 |
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Unsupervised Spatial Machine Learning for Phase Clustering in Nanomechanical Maps with Kernel-Averaged Mechanical Mismatch |
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David Mercier,
Ansys Inc. Part of Synopsys, France |
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16:00-16:45 |
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Coffee Break / Poster Session /Exhibition |
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Parallel Session – Seniors IV - Auditorium - Deep Learning for Materials Characterization |
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Chairperson: Andrey Ustyuzhanin (Constructor University, Germany) |
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16:45-17:00 |
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Simulation of STM Surface Images from 3D Atomic Structures. A Unet-based Convolutional Networks Tool. |
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Pierre Mignon,
Université Lyon1 - institut Lumière Matière, France |
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17:00-17:15 |
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An LLM-Based Multi-Agent Framework for Assisted Finite Element Modeling Workflows |
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Javier Gomez,
ADVANCED MATERIAL SIMULATION SL, Spain |
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17:15-17:30 |
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OptiXNet: Symmetry-Aware Equivariant Network for Discovering SHG-Active Materials |
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Ivan Kruglov,
Emerging Technologies Research Center, XPANCEO, United Arab Emirates |
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17:30-17:45 |
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Machine Learning-Assisted Detection of Water Contaminants Using Conventional Raman Spectroscopy |
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Emigdio Chavez Angel,
Catalan Institute of Nanoscience and Nanotechnology, Spain |
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17:45-18:00 |
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Charting nanocluster structures via convolutional neural networks |
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Emanuele Telari,
Universitat de Barcelona, Spain |
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18:00-18:15 |
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Accelerated Dimensionality Prediction of Lead Halide Perovskites via Wavelet Convolutional Neural Networks |
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Rachid Laref,
laboratoire UCCS, Université d´Artois , France |
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Parallel Session – Seniors V - Room C - Machine Learning for Material Properties & Discovery |
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Chairperson: Jose Hugo Garcia (ICN2/Apeiron, Spain) |
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16:45-17:00 |
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Platonic representation of foundation machine learning interatomic potentials |
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Zhenzhu Li,
Imperial Global Singapore, Singapore |
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17:00-17:15 |
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Leveraging Supervised Machine Learning to Predict Band Gaps of Modular Materials from Their Molecular Building-Blocks |
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Malcolm Jardine,
Universitat de Barcelona, Spain |
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17:15-17:30 |
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A generative material transformer using Wyckoff representation |
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Pierre-Paul De Breuck,
Ruhr University Bochum, Germany |
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17:30-17:45 |
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Revealing Structure-Property Relationships in Amorphous Boron Nitride Using Machine-Learned Potentials |
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Onurcan Kaya,
ICN2, Spain |
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17:45-18:00 |
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Machine Learning Surrogates for Phase-Field Modeling of Dendritic Metal Solidification |
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Eider Garate Perez,
Tekniker, Spain |
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18:00-18:15 |
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High-Throughput Transition-State Searches in Zeolite Nanopores with NNPs |
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Pau Ferri Vicedo,
Instituto de Tecnologia Quimica, Spain |
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Parallel Session – Seniors VI- Room D - Neural Networks & Predictive Modeling in Materials Science |
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Chairperson: Vincenzo Palermo (CNR, Italy) |
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16:45-17:00 |
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A Multitask Graph Neural Network Framework for Ames Mutagenicity Prediction |
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Abigail Teitgen,
Instituto de Ciencia de Materiales de Madrid (ICMM-CSIC), Spain |
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17:00-17:15 |
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GINNs: A GENERIC Informed Neural Networks methodology to learn thermodynamically sound rheological models |
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David Nieto Simavilla,
ETSIME-UPM, Spain |
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17:15-17:30 |
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Machine learning-aided search of enhanced elastocaloric effect in graphene kirigami |
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Luiz Felipe Cavalcanti Pereira,
Universidade Federal de Pernambuco , Brazil |
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17:30-17:45 |
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Molecular dynamics with machine-learning potentials for describing defect dynamics in graphene and diamond |
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Nikita Orekhov,
XPANCEO, United Arab Emirates |
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17:45-18:00 |
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Embedded molecular representations for more efficient machine learning in molecular discovery and chemical property prediction |
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Francisco Martin-Martinez,
King´s College London, UK |
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18:00-18:15 |
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Automated Optimization of the Electrodeposition of Alloy Thin Films using a Material Acceleration Platform (MAP) |
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Annica Heyne,
Federal Institute for Materials Research and Testing (BAM), Germany |
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