High performing machine learning for novel catalyst design (MLNovCat)
Main funder
Funder's project number: 351583
Funds granted by main funder (€)
- 230 664,00
Funding program
Project timetable
Project start date: 01/01/2022
Project end date: 31/12/2024
Summary
Development of new machine learning solvers and data-driven models on GPU infrastructure with applications to novel electrocatalyst design.
Principal Investigator
Other persons related to this project (JYU)
Primary responsible unit
Follow-up groups
Related publications and other outputs
- Computational Criteria for Hydrogen Evolution Activity on Ligand-Protected Au25-Based Nanoclusters (2023) López-Estrada, Omar; et al.; A1; OA
- Theoretical advances in understanding the active site microenvironment toward the electrocatalytic nitrogen reduction reaction in aqueous media (2023) Wu, Tongwei; et al.; A2; OA
