Joint Webinar “Advances in Materials Modeling: From Atoms to Industrial application”
The NOUVEAU project, in collaboration with its sister projects NICKEFFECT, MOZART, and FreeMe, is working towards innovative, safe, and sustainable-by-design metallic coatings and engineered surfaces. This joint effort aims to establish a strong cross-project liaison, driving forward European advancements in materials science by implementing shared strategies and methodologies.
Topics
During this collaboration, project representatives will deliver short talks outlining their approaches to materials modeling, with a focus on:
Density-functional theory (DFT)
Machine-learned interatomic potentials
Process optimization
Multiscale modeling
Electrochemical plating processes
These topics align with cutting-edge research in computational materials science, electrochemistry, and industrial process optimization, fostering knowledge exchange across different domains.
Key Outcomes of the Collaboration
- Identifying and addressing bottlenecks in atomic modelling
- Enhancing the transferability of workflows and methodologies between projects
- Facilitating the exchange of standardization approaches across related sectors
This initiative is a significant step toward revolutionizing metallic coatings and engineered surfaces, strengthening European leadership in sustainable and advanced material solutions.
Agenda
| Time | Topic | Presenter |
|---|---|---|
| 15:00 - 15:05 | Welcome & Introduction | Gerhard Goldbeck (EMMC), Beril Korkmaz Erdural (TU/e, NL) |
| 15:05 - 15:20 | Multiscale modelling of novel solid oxide electrolysis cell materials using machine learning based approach | Sher Ahmad (TU/e, NL) / NOUVEAU |
| 15:20 - 15:35 | Atomic modeling using density-functional theory and machine learned interatomic potentials, and process optimization through active learning | Guilaume Brunin (Matgenix, BE) / NICKEFFECT |
| 15:35 - 15:50 | A Decision Support Tool for the Design and Optimisation of Novel Plating on Plastics Technologies | Kostas Pyrgakis (Exelisis, GR) / FreeME |
| 15:50 - 16:05 | Macro-scale Modeling of Nickel Dispersion Plating Processes | Bart Van den Bossche (Elsyca, BE) / MOZART & Paulo Vieira (Elsyca, BE) / MOZART |
| 16:05 - 16:20 | Continuum Micro-scale Multi-ion Modeling for Plating Processes Applied to Porous Structures | Mesfin Haile Mamme (VUB, BE) / NICKEFFECT & Parisa Molaeipourashka (VUB, BE) / NICKEFFECT |
| 16:20 - 16:30 | Discussion & Networking |
Presentations
“Multiscale modelling of novel solid oxide electrolysis cell materials using machine learning based approach” presented by Sher Ahmad (TU/e, NL) / NOUVEAU
“A process optimization tool for emerging Plating on Plastics Processes” presented by Kostas Pyrgakis (Exelisis, GR) / FreeME
“Macro-scale Modeling of Nickel Dispersion Plating Processes” presented by Bart Van den Bossche (Elsyca, BE) / MOZART & Paulo Vieira (Elsyca, BE) / MOZART
“Develop of a mathematical model to simulate the electrodeposition process” presented by Parisa Molaei (VUB, BE) / NICKEFFECT
