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The Book of Abstracts is now available. It contains the abstracts from the invited speakers and the INTERSECT team for each session of the workshop and the contributed poster abstracts accepted by the INTERSECT Workshop Scientific Committee. 

We have also just published all the contributed posters received for our workshop. Watch them following or visit the new section on our workshop website.

More on https://intersect-workshop.icn2.cat/ 

For more information, please write to workshop@intersect-project.eu or visit our workshop website at https://intersect-workshop.icn2.cat/.

*Room rental, coffee breaks and lunch are paid by ICN2 as co-organizer of the workshop

Outstanding candidates are sought with a background in the physical sciences, engineering or computer science, with strong programming skills, and with experience in the development of web architectures powered by cloud technologies.

The position will focus on research case studies for the existing Materials Cloud platform, with primary focus on both the portal frontend development and deployment, as well as support for the backend development.

The software engineer would work with a team of 10+ PhD students, postdocs, and software specialists with diverse backgrounds contributing both to AiiDA and the Materials Cloud, joining an exciting and very driven international team at the forefront of research in the field of materials discovery and design. For interested applicants, scientific research challenges can also be incorporated in the effort (but this is not a requirement).

The successful candidate will join the multidisciplinary group of Nicola Marzari leading the pan-Swiss materials consortium MARVEL, the work-package on convergence of HPC, high-throughput computing and high-performance data analytics of the H2020 MaX Centre of Excellence, and involved in several international projects, such as our H2020 INTERSECT, the H2020 BIG MAP project, the H2020 OpenModel and DOME 4.0 projects, and the swissuniversities P-5 “Materials Cloud” project.

For best consideration, applications should be submitted by Oct 31st, 2021; the positions will remain open until suitable candidates have been found.

For more details, visit our open positions page: https://intersect-project.eu/open-positions/

The workshop aims at connecting academic research, R&D labs, and industry on the theme of synaptic electronics and neuromorphic computing, with a specific focus on the role of materials on the efficiency and design of next-generation devices, such as volatile and non-volatile memories and memristors. Particular attention will be dedicated to materials-to-device modelling and to innovative interoperable automatic workflows for industry-driven applications, in close connection with the experimental side.

The event will take place in a hybrid format, both in Barcelona and online. Researchers and experts in the field are friendly invited to attend the workshop and to submit oral and/or poster contributions. On-line poster sessions will be available for both in-person and on-line attendees. The deadline for the abstract submission is October 16, 2021. 

The scientific program will be organized in 3 sessions covering the following topics: new materials for synaptic electronics; new materials for synaptic electronics; PCM, ReRAM, ECRAM and ferroelectric memristors; role of disorder, defects, and dopants in memristors; and Interoperability, Ontology & Workflows in materials modelling. See https://intersect-workshop.icn2.cat for further details.

The workshop is free but registration is needed. The registration form is available at http://eepurl.com/hIc22T. The deadline for registrations is October 16, 2021. 

The workshop is organized by the Spanish Institut Català de Nanociència i Nanotecnologia and the Institute Nanoscience of the National Research Council of Italy, within the activities of our H2020 EU-project INTERSECT.

For more information, visit the workshop website at https://intersect-workshop.icn2.cat or write to workshop@intersect-project.eu. 

INTERSECT’s main result will be the release of the Interoperable Material-To-Device Simulation Box (IM2D) that is conceived as an interoperable, robust and friendly software solution for easier exploration of the materials workspace from an electronic device-oriented industrial perspective.

Beside the overall IM2D infrastructure, a set of key exploitable results has been selected and ranked .They are the Ginestra-AiiDA interface, the AiiDA-QE interface, the Aiida-SIESTA interface, the properties workflows, the Analysis of complex systems, and the semantic workflow.

Discover our key exploitable results:

And if you want to keep up-to-date with our advancements, register to our newsletter,

Abstract: The prediction of material properties based on density-functional theory has become routinely common, thanks, in part, to the steady increase in the number and robustness of available simulation packages. This plurality of codes and methods is both a boon and a burden. While providing great opportunities for cross-verification, these packages adopt different methods, algorithms, and paradigms, making it challenging to choose, master, and efficiently use them.
We demonstrate how developing common interfaces for workflows that automatically compute material properties greatly simplifies interoperability and cross-verification.
We introduce design rules for reusable, code-agnostic, workflow interfaces to compute well-defined material properties, which we implement for eleven quantum engines and use to compute various material properties. Each implementation encodes carefully selected simulation parameters and workflow logic, making the implementer’s expertise of the quantum engine directly available to non-experts. All workflows are made available as open-source and full reproducibility of the workflows is guaranteed through the use of the AiiDA infrastructure.

Info: Common workflows for computing material properties using different quantum engines, S.P. Huber, E. Bosoni, M. Bercx, J. Bröder, A. Degomme, V. Dikan, K. Eimre, E. Flage-Larsen, A. Garcia, L. Genovese, D. Gresch, C. Johnston, G. Petretto, S. Poncé, G. Rignanese, C. J. Sewell, B. Smit, V. Tseplyaev, M. Uhrin, D. Wortmann, A. V. Yakutovich, A. Zadoks, P. Zarabadi-Poor, B. Zhu, N. Marzari & G. Pizzi, npj Computational Materials volume 7, Article number: 136 (2021) | DOI: 10.1038/s41524-021-00594-6 | Open Access

Discover our INTERSECT publications, and register to our newsletter to stay up-to-date with our progress!

The INTERSECT project aims at driving the uptake of materials modelling software in industry, bridging the gap between academic innovation and industrial novel production, with the goal of accelerating the process of materials selection and device design and deployment. The Innovation Management (IM) task (T4.4) is explicitly conceived to monitor the market needs and the technical evolutions throughout the project lifetime, and to plan an exploitation strategy after its end. One main purpose of the IM is to constantly refine the project work plan to meet the market and partner institutions (including academic, R&D institutes, EU infrastructures) needs with state-of-the-art technological solutions.

The Interoperable Material-to-Device (IM2D) platform is the main INTERSECT outcome. The realization of this goal required the development of other tools, instrumental to the IM2D platform development. After the IM process, six of these instrumental features have been identified as additional key exploitable results that can be exploited independently from the final IM2D product.

Info & download: V. Lunardelli, L. Neri, and A. Calzolari (2021): Innovation management assessment and revision. Deliverable D4.8 of the H2020 project INTERSECT (final version as of 28/07/2021). EC grant agreement no: 814487, CNR, Modena, Italy.

Solution of complex problems (e.g. production of new technology) requires the combination of advanced knowledge and state-of-the-art technologies, belonging to interdisciplinary areas. In this regard, the INTERSECT project aims at leveraging European leadership in materials’ modelling software and infrastructure, providing an industry-ready novel multi-scale multi-physics simulation platform, able to connect materials simulations to modelling of the device operations.

INTERSECT’s main result will be the release of the Interoperable Material-To-Device Simulation Box (IM2D) that is conceived as an interoperable, robust and friendly software solution for easier exploration of the materials workspace from an electronic device-oriented industrial perspective. Beside the overall IM2D infrastructure, a set of key exploitable results (Table 1) has been selected and ranked, as a result of the innovation management analysis (see D4.8).

In Deliverable 4.7, we have elaborated dedicated business model canvas for each INTERSECT’ key exploitable results. The initial business strategy for the exploitation of IM2D anticipated in D 4.3 is now elaborated on the basis of the maturated experience, also in contact with industrial stakeholders. The business models for the remaining six exploitable results are completely new instead, as these key results emerged from an innovation management analysis performed after the release of the first business plan.

INTERSECT’ goal is the realization of a ‘pre-competitive’ software solution”, and the business plan assessment analyzes the market size, the segmentation and the needs of the reference sector market – the Electronic Design Automation (EDA) market – and of the main end-user markets (semiconductor and neuromorphic market), without entering into specific commercialization or marketing strategies, which go beyond the aim of this project. For more information, please do not hesitate to contact us at intersect@nano.cnr.it.

Info & download: V. Lunardelli, L. Neri, M. Di Berardo, and A. Calzolari (2021): Business plan assessment and revision. Deliverable D4.7 of the H2020 project INTERSECT (final version as of 28/07/2021). EC grant agreement no: 814487, CNR, Modena, Italy.

The Interoperable Material to Device (IM2D) simulation box is the core outcome of the INTERSECT project. It is meant to provide material properties on-demand through robust and automatized workflows for advanced device modelling. In the various stages of the IM2D simulation box, data are received, processed, and stored.
In D2.6, we describe how the automated infrastructure is able to handle, store, and share data, which is the core of the IM2D data hub. We start with an introduction to the components of the IM2D box and how they interact, then we give a complete description of the data pipelines.

An essential piece of information required to perform Density Functional Theory (DFT) simulations on a material is its atomistic crystal structure. This contains information on the periodicity of the lattice, its chemical composition, and the arrangement of the atoms inside the unit cell. Up to now, we have implemented data pipelines to give access to the IM2D users materials available to almost all the major open-access materials databases, such as Materials Cloud, Materials Project, Crystallography Open Database (COD), and many more.

An important step to make this access as much universal as possible, has been the development of the OPTIMADE (Open Databases Integration for Materials Design) REST (REpresentational State Transfer) API (Application Programming Interface), which unifies the way various databases expose their data on the web.
We present our effort towards the (OPTIMADE) and the tools we help to develop to make it user-friendly and open access. Furthermore, we demonstrate how we implement queries to the OPTIMADE API within the IM2D framework.

Info & Download: F. J. dos Santos, F. Benedetto, C. Rosati, M. Bertocchi, F. Aquilante, A. Calzolari, and N. Marzari (2021): Pipelines to/from external repositories. Deliverable D2.6 of the H2020 project INTERSECT (final version as of 28/07/2021). EC grant agreement no: 814487, EPFL, Lausanne, Switzerland.

Find all the INTERSECT deliverables developed so far in our report page and subscribe to our newsletter to keep up-to-date with our project activities!