Cloud Infrastructure Access Portal of ITP
The Cloud Infrastructure Access Portal of ITP is a pilot digital access point for computational materials research. It supports remote access to virtual workspaces, computational environments, workflow tools and data preparation services.
Hosting partner: Bogolyubov Institute for Theoretical Physics
Facility type: Cloud infrastructure portal
Current status: Pilot / preparation node
Typical users
Research groups working on computational materials science, PhD students, modelling teams from partner institutes, and users preparing demonstrator workflows that combine simulation, data analysis and FAIR data publication.
Data outputs
Typical outputs include input files, output files, logs, structural files, notebooks, workflow provenance, README files and metadata records.
Access notes
At the pilot stage, access is provided for selected demonstrator workflows and partner research groups. A full access procedure may be introduced later through the common access policy of the consortium.
Related resources
Quantum ESPRESSO
Quantum ESPRESSO is an open-source software suite for electronic-structure calculations and materials modelling based on density functional theory. In the pilot infrastructure, it is used as a computational …
AiiDA
AiiDA is a workflow and provenance management framework used to automate, document and reproduce computational materials science workflows.
Jupyter-based workflows
Jupyter-based workflows provide interactive computational environments for preparing, running, documenting and sharing materials modelling tasks.
Services using this facility
DFT workflow support for materials research
This service supports research groups in preparing, running and documenting density functional theory workflows for materials research.