Open AiiDA lab platform for cloud computing in materials science

Science Area: Physical sciences

Goals: This early adopter aims at  providing access to Kubernetes managed infrastructure to support the deployment and operation of on open AiiDA lab instance in EOSC and supporting the authentication and authorisation of EOSC users into AiiDA lab

Specific steps:

• Integration with EGI Check-in
• Deploy the AiiDA lab instance on the EGI Federated Cloud
• Use of the AiiDA lab instance for a tutorial and support of at least 6 different simulation codes
• On-boarding of users (>100 expected), testing and scaling, provide apps to connect to HPC resources

EOSC-hub supporting services:

EGI Check-in, EGI Cloud Compute, EGI Cloud Container Compute, EGI Online Storage, EUDAT B2HANDLE, OpenAire Zenodo, EOSC-hub monitoring, EGI IM/EC3

Supported community:

EPFL 

Partners:

GRNET, CESNET, UPV, OpenAire, MaX European Centre of Excellence, NCCR MARVEL, H2020 MarketPlace project, swissuniversities P-5 project “Materials Cloud”.