Day 1 (Thursday, 2024-9-19): COST Session at the E-MRS Fall meeting
| Time | Program | Title |
|---|---|---|
| 9:00 - 9:15 | Registration | |
| 9:15 - 9:30 | Welcome (Chair) | |
| Session 1 - Chair: Dr. Alexandra Farcas | ||
| 9:30 - 9:45 | Hanoch Senderowitz | Machine Learning Models for Dye Sensitized Solar Cells (DSSCs) |
| 9:45 - 10:00 | Indranil Saha | Computational Exploration of Zeolite Properties Using Neural Networks Potentials |
| 10:00 - 10:15 | Iman Peivaste | Accelerating the Discovery of Organic Molecules for Photoelectrochemical (PEC) Water Splitting Using Transformer-Based Surrogate Models |
| 10:15 - 10:30 | Akanksha Gupta | Potassium Molten Salt-Mediated In Situ Structural Reconstruction of a Carbon Nitride Photocatalyst |
| 10:30 - 11:00 | Coffee Break | |
| Session II - Chair: Dr. Wenyi Huo | ||
| 11:00 - 11:30 | Ewa Wierzbicka | Recent Advances in Nanostructured TiO₂ Modifications for Enhanced Photocatalytic and Photoelectrochemical Green Hydrogen Production |
| 11:30 - 11:45 | Radhey Shyam Yadav | The Origins of Formic Acid Electrooxidation on Selected Surfaces of Pt, Pd, and Their Alloys with Sn |
| 11:45 - 12:00 | Hamide Kavak | Synthesis, Characterization, and Density Functional Theory Calculation of Mixed Organic-Inorganic Perovskite Materials |
| 12:00 - 13:00 | Break – Refreshments | |
| Session III - Chair: Dr. Javier Dominguez | ||
| 13:00 - 13:30 | Petr Grigorev | Machine learning and workflows for scale bridging in mechanics. |
| 13:30 - 13:45 | Razieh Izadi | A Multiscale Computational Approach Integrating Molecular Dynamics and Peridynamics Simulations to Understand Fracture Behaviour in Green Nano Fibrous Network |
| 13:45 - 14:00 | Frida Zisko | Novel Developments in Materials Informatics |
| 14:00 - 14:30 | Coffee Break | |
| Session IV- Chair: Jorge Suarez-Recio | ||
| 14:30-14:45 | Kinga Suchorab | Application of data analysis in Raman Spectroscopy |
| 14:45-15:00 | Fabio Le Piane | Automated data integration platforms for materials science and cheminformatics |
| 15:00-15:15 | AbdolMajid Rezaei | Modelling Additive Manufactured Nanocomposites by Bridging Different Computational Schemes |
| 15:15-15:30 | Coffee Break | |
| 15:30-16:00 | Petr Grigorev | Matscipy hands-on workshop more information: https://pgrigorev.github.io/news/mod_mat_materials/ |
| 16:00 - 17:00 |
Poster session 1.- Mario Vozza: Efficient Workflow Automation for Materials Modeling: Towards Predictive AI Systems Using High Throughput Synthetic Dataset Generation 2.- Tommaso Forni: GrapheNet: A Novel Deep Learning Model for Predicting Physical and Electronic Properties of 2D Materials Using Images 4.- Jorge Suárez-Recio: ML-Driven Analysis of Self-Healing Properties in Tungsten Grain Boundaries 5.- Alexandra Farcas: Advanced Normal Mode Analysis of Carbon Nanotubes 6.- Gordana Markovic: Application of Machine Learning for Predicting Mechanical Properties and Designing Novel Biocompatible Titanium Alloys 7.- F. Javier Dominguez Gutierrez: Unveiling Surface Chemistry and Hardening Mechanisms in Nuclear Materials 8.- Aleksa Milovanović: The effect of proper material model calibration on additively manufactured polymer material |
|
| 17:00 | End of the first day | |
Day 2 (Friday, 2024-9-20): WG meeting
| Time | Program | Title |
| 10:00 - 12:30 | Working group WG1 sessions | |
| 12:30 - 13:30 | Break - Refreshments | |
| 13:30 - 16:00 | Working group WG2 sessions | |
| 16:00 - 16:15 | Concluding Remarks | |
| 16:00 | End of the meeting | |
