Data bases, modelling and High Performance Computing for Perovskite PV

This introduction will briefly summarize the three main objectives of Viperlab project:

Access to expertise and infrastructure: Uniting European top-ranked perovskite PV experts and research infrastructures, both physical and virtual, to enable faster perovskite solar cells and module development and testing on higher technology readiness levels for both industru and academy

Networking and Training Actions: Connecting and supporting the European perovskite R&D community through physical and virtual infrastructure access, educational resources, fostering collaboration between academics and industry, and targeted networking activities.

Develop infrastructure and knowledge-base: Further develop physical and virtual perovskite infrastructures, build an up-to-date database for materials and devices, long-term performance, environmental, and economic impact enabling evidence-based commercial and political decision mak

The speech will briefly introduce the importance of High-performance computing (HPC) in the advancement of science and how it can accelerate the design of new materials.

Then a brief overview of the available HPC infrastructures in Europe and an update of future plans of the EuroHPC Joint Undertaking initiative.

Large datasets are now ubiquitous as technology enables higher-throughput experiments, but rarely can a research field truly benefit from the research data generated due to inconsistent formatting, undocumented storage or improper dissemination.The presentation will provide a brief overview of meta-databases and data structuring.

In addition, the speech will cover a definition of a common ontology according to European Materials Modelling Ontology (EMMO) as part of the Meta-database development within VIPERLAB. 

The VIPERLAB  Virtual Access Portal (VAPo)  unifies the access to all Virtual Access Infrastructures of VIPERLAB and create a single point of access for the users. The platform is modular and scalable to offer a sustainable platform to provide access to the four virtual infrastructures that are already part of VIPERLAB and will be able to grow and integrate further virtual infrastructures as soon as they are developed. VAPo contains also integrated database access management for the information generated during the project regarding materials characteristics performance and durability, economic and environmental data to help the users identify the materials and practices and foster the European development in the relevant areas of perovskite technology.

HZB-HySPRINT – Perovskite Database 

Perovskite Database Infrastructure led by HZB, rely on a team of approx. 100 collaborators world-wide that collectively are extracting all perovskite solar cell device data available in the over 15000 published perovskite papers. The Perovskite DB is an OpenScience project collecting and connecting Metadata of Perovskite PV devices with their performance. The project started as part of an EU project on OpenScience, went online in Dec of 2021 and now has over 300 registered users already. There are a number of ongoing review paper activities that we are announcing on the project's homepage (www.perovskitedatabase.com) and we are generally inviting the VIPERLAB user community to make use of the data and platform available as well as becoming involved in improving and expanding it.

CENER-MODELAB – Modelling Capacity

This speech will present the CENER MODELAB Infrastructure. CENER is able to model the electro-optical behaviour of innovative solar cells with different materials and architectures with the software TCAD of Silvaco. Accurately simulating a solar cell prior to its fabrication might help to drastically reduce experimentation time. In this way, fabrication efforts are only dedicated to potentially well-performing devices. In this presentation, the modelling possibilities in CENER virtual infrastructure will be briefly described.

JÜLICH-HI ERN - Amanda

The VA infrastructure AMANDA is a fully automated research line for the processing and characterization of perovskite solar cells. The line is used for perovskite device process development and optimization and the production of larger sample sets of identical devices for stability studies. AMANDA is accessed as a VA through a browser-based web portal that allows for large-scale experiment design and access to experimental data.

ENEA-CRESCO Computing Lab

The speech will introduce ENEA CRESCO: Computational RESsearch Centre on COmplex systems infrastructure. All computing facilities in ENEA are integrated within ENEAGRID that is characterized by solid structural components integrated in a user-friendly environment. The ENEA main computing facility is CRESCO6 that is an HPC system consisting of 434 nodes/20832 cores with a peak of 1.4 PFlops. The webinar describes how to operate in the ENEAGRID framework to use CRESCO6 HPC cluster and can be summarized in three main points:

1. How to get a user account in ENEAGRID.
2. How to access to computing facilities.
3. SSH at the front-end nodes.
4. THINLINC Graphical User Interface.
   1. CMAST (Computational MAterials Science and Technology).
5. How to open issues in ENEAGRID.