Grants and funding

We are grateful to the agencies that fund our research efforts, either directly or indirectly through computer time, traveling grants or support for events. Our main current sponsors are the Academy of Finland, CSC – IT Center for Science, Aalto University and the European Research Council through the HPC-Europa3 program. Below is a list of grants that have been secured by our group.

Funding and scholarships

Legend: Currently running or upcoming grants are highlighted in green; past grants are highlighted in blue. Abbreviations: PI (Principal Investigator); CoPI (co-Principal Investigator); CoI (co-Investigator).

Agency/organization Project name Miguel Caro’s involvement Period Amount
European Union’s EuroHPC Joint Undertaking (Inno4scale) Adding physics-inspired interactions for fast and accurate machine-learning interatomic potentials across scales (XCALE)link PI + Consortium Coordinator 01.02.2024 – 31.01.2025 (1 year)

177 551 EUR*

*132 660 EUR for Miguel Caro’s subproject

Research Council of Finland (Research Project) Atomic-scale design of new carbon-based materials (ATCAR)link PI 01.09.2023 – 31.08.2027 (4 years)

528 053 EUR

M-ERA.net (EU COFUND: Academy of Finland, RannĂ­s and European Commission) NAnoCArbon materials for sustainable Battery technology (NACAB consortium)link PI + Consortium Coordinator 01.09.2022 – 31.08.2025 (3 years)

774 734 EUR*

*200 000 EUR for Miguel Caro’s subproject

Academy of Finland EuroHPC Exascale-ready machine learning force fields (ExaFF consortium)link PI + Consortium Coordinator 01.01.2022 – 31.12.2024 (3 years)

1 011 240 EUR*

*435 108 EUR for Miguel Caro’s subproject

Academy of Finland Research Fellow Next-generation interatomic potentials to simulate new cellulose-based materials (NEXTCELL)link1, link2, link3 PI 01.09.2020 – 31.08.2025 (5 years)

838 874 EUR*

*438 874 EUR are allocated initially as personal funding for the PI and 400k EUR for costs are allocated afterwards in two separate stages

Academy of Finland (Targeted project funding – C1 Value programme) Formation of CO, CH4 and CH3OH by electrochemical reduction of CO2 (SIMCAT) – link PI 01.01.2020 – 31.12.2023 (4 years) 565 859 EUR
Academy of Finland (Project Funding for Early-Career Researchers) Towards accurate computational experimentation (COMPEX): machine-learning-driven simulation of nanocarbon synthesislink PI 01.09.2019 – 31.08.2023 (4 years) 586 447 EUR
Aalto University Materials Platform (Seed Funding) TurboGAP: Accelerated machine-learning-driven molecular dynamics for accurate computational experimentation PI 01.012019 – 31.12.2019 (1 year) 30 000 EUR
Academy of Finland (Postdoctoral Researcher) Accurate computational electrochemistry from density functional theory and multiscale atomistic simulationslink PI 01.09.2017 – 31.08.2020 (3 years) 281 190 EUR
Academy of Finland (Project Funding) First-principles Electrochemistry (FIRE)link CoI (PI Prof. Tomi Laurila) 01.09.2015 – 31.08.2018 (3 years) 479 185 EUR

CPU time

Legend: major grants in green, minor grants in blue. Abbreviations: PI (Principal Investigator); CoPI (co-Principal Investigator); CoI (co-Investigator).

Agency/organization Project name Miguel Caro’s involvement Date granted Amount
CSC CPU time granted across all regular projects for 2023 PI 2023 (updated 06.04.2023) 14M CPUh
CSC CPU time granted across all regular projects for 2022 PI 2022 (whole year) 15.5M CPUh
CSC CPU time granted across all regular projects for 2021 PI 2021 (whole year) 3.5M CPUh
CSC (Grand Challenge Project) Machine learning force fields for modeling of noble metal catalyst nanoparticles (NOBLE)link PI 07.01.2021 33M CPUh
CSC ML-driven simulation of CO2 reduction catalysis PI 04.12.2020 0.5M CPUh
CSC Next-generation interatomic potentials to simulate new cellulose-based materials (NEXTCELL) PI 26.11.2020 1M CPUh
CSC Computational X-ray spectroscopy PI 16.11.2020 1M CPUh
CSC Computational X-ray spectroscopy PI 19.10.2020 1M CPUh
CSC ML-driven simulation of CO2 reduction catalysis PI 16.09.2020 3M CPUh
CSC Next-generation interatomic potentials to simulate new cellulose-based materials (NEXTCELL) PI 28.08.2020 1M CPUh
CSC Machine learning force field simulation of carbon nanotube growth (Mahti supercomputer pilot stage) PI 11.03.2020 5M+2M CPUh
CSC Molecular modelling of the thermodynamic properties of concentrated electrolyte solutions and applications to sodium-ion batteries (as part of the HPC-Europa3 program) Host (visitor Jiaxin Zhang) 30.04.2019 100k CPUh
EPCC Machine learning van der Waals interactions in phosphorus (as part of the HPC-Europa3 program) Visitor (host Dr. Volker Deringer) 30.04.2019 200k CPUh
CSC (Grand Challenge Project) XPEClink PI 17.04.2019 12.5M CPUh
CSC Accurate computational electrochemistry from density functional theory and multiscale atomistic simulations PI 16.01.2019 2.5M CPUh
CSC Machine learning models for the surface chemistry of tetrahedral amorphous carbon (as part of the HPC-Europa3 program) Host (visitor Dr. Volker Deringer) 14.12.2017 250k CPUh
CSC Accurate computational electrochemistry from density functional theory and multiscale atomistic simulations PI 09.08.2017 2.5M CPUh
CSC First-Principles Electrochemistry CoI (PI Prof. Tomi Laurila) 28.04.2016 1.45M CPUh

Events

Travel support