EOSC Node
Materials science services and FAIR research objects connected to the EOSC Federation
The Digital Materials Research Infrastructure of NASU is preparing a thematic EOSC Node for computational materials science. The planned Node will connect scientific workflows, computing resources, repository services and FAIR data stewardship with the EOSC Federation.
The build-up is carried out through MATSCI-NASU, an EOSC GRAVITY Preparatory Grant implemented by the Bogolyubov Institute for Theoretical Physics (BITP), the Frantsevich Institute for Problems of Materials Science (IPMS) and Kyiv Academic University (KAU).
A distributed network of interconnected EOSC Nodes
The EOSC Federation connects national, thematic, regional and European research resources through common federating capabilities. Researchers can discover and access data, software, services and computing resources across organisational and disciplinary boundaries.
The planned materials-science Node will provide a thematic interface between Ukrainian computational materials-science resources and this wider European federated environment.
Contribution to the EOSC Federation
The planned Node is designed around a specific contribution: computational materials-science workflows with computing resources behind them and curated return of FAIR research objects.
Computational workflows as services
Established materials-science workflows are prepared as authenticated, pre-configured computational services, allowing researchers to apply validated methods without rebuilding the full software environment themselves.
Computation connected to FAIR publication
Researchers use computing resources through the workflow service, while outputs and their provenance are captured, curated and returned as citable FAIR research objects.
Metadata, provenance and repository publication
Domain metadata profiles, FAIR packaging, provenance capture, persistent identifiers and repository deposit are integrated into the service route rather than treated as a separate activity after computation.
Ukrainian materials science in the EOSC environment
The Node will connect computational expertise, workflows, datasets, trained models and simulated materials properties from NASU institutes and Ukrainian research groups with European research infrastructures and users.
Capabilities and access
The build-up combines infrastructure that is already operational with services and Federation components currently under development.
| Capability | Resource or component | Status | Role in the planned Node |
|---|---|---|---|
| Repository | DataverseUA | Operational · TRL 7 | FAIR research-object deposit, persistent identification and metadata exposure. |
| HPC | BITP HPC Grid Cluster | Operational · TRL 7 | High-performance computing for scientific workflow services. |
| Cloud | BITP OpenStack Cloud Cluster | Operational · TRL 7 | Cloud resources and environments for Node services. |
| Federated access | eduGAIN · MyAccessID · EGI Check-in · Node AAI | In development | Federated authentication and controlled access to Node services. |
| FAIR workflow service | Metadata and FAIR workflow service framework | TRL 5 → 7 | Workflow onboarding, output capture, FAIR packaging, curation and repository return. |
| Scientific workflow | DFT → MLIP → MD | Pilot · TRL 5 → 7 | First computational materials-science workflow being prepared as a federated service. |
| Provenance | AiiDA · NOMAD-compatible conventions | In development | Machine-readable links between workflow stages, inputs, models and outputs. |
| Operations | Monitoring · accounting · helpdesk | Planned integration | Operational support and service-management functions. |
Collaboration with other EOSC Nodes
MATSCI-NASU is designed for interoperability rather than as an isolated platform. The build-up therefore includes scenarios in which services and research objects interact with other EOSC Nodes and federating services.
Federation integration
Federated AAI, Node registration and resource catalogue exposure provide the primary route for integration with the EOSC Federation.
Additional federated compute
Requests beyond locally declared capacity can use federated e-infrastructure access mechanisms where appropriate agreements and allocations are available.
Data and semantic interoperability
MATSCI-NASU aims to align provenance and materials-data conventions with broader European materials-science infrastructures, including initiatives such as MatOSC.
Status and build-up
Thematic EOSC Node under preparation
MATSCI-NASU is currently developing the governance, access policies, federated AAI, service-management framework, FAIR metadata and provenance profile, pilot computational services and third-party onboarding procedures required for the planned thematic Node.
Coordination
The build-up combines infrastructure operations, scientific workflow expertise and FAIR data stewardship.
Coordination and infrastructure
Project coordination, HPC and cloud resources, AAI, repository infrastructure and operational readiness.
Scientific workflows
Computational materials-science workflows, workflow onboarding and domain validation.
FAIR data stewardship and training
Metadata profiles, FAIR packaging, curation, documentation and training through the NASU FAIR Data Competence Center.
| Role | Name | Organisation |
|---|---|---|
| Coordinator | Sergiy Svistunov | BITP |
| Operations Officer | Vladyslav Bilyi | IPMS |
| Cybersecurity Officer | Pavlo Svirin | BITP |
| Legal Officer | Oleksandra Pravdyva | KAU |
| Communications Officer | Vitaly Shadura | KAU |
| Scientific Officer | Oleksandr Vasiliev | IPMS |
MATSCI-NASU
Designing the Governance, Core Readiness, and Pilot Use Case for the NASU Materials Science Thematic Node.
The project develops the governance, technical integration, services, FAIR data profile, pilot DFT → MLIP → MD workflow, onboarding procedures and operational roadmap for the planned thematic EOSC Node.
