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Events
News
Tutorial 13 videos are now online

Recordings of FAIRmat Tutorial 13 are now available on the FAIRmat and NOMAD YouTube channel! The full playlist includes:

Read more about the FAIRmat hands-on tutorial series here.

published 02.07.2024
Successful participation at the Lange Nacht der Wissenschaften 2024

FAIRmat had a wonderful experience at the Lange Nacht der Wissenschaft on June 22, 2024. Our team was amazed by the overwhelming turnout and the enthusiastic response from the visitors to our booth, which focused on research data management and coding using Lego to gamify these topics. Engaging with the public, sharing our research, and seeing the curiosity and excitement of the public was incredibly rewarding.

Special thanks go out to our colleagues at CSMB for their organization and collaboration during this event.

We look forward to participating in next year’s edition!

Here are a few highlights from the event:

20240622_17070420240622_17122720240622_175824

published 28.06.2024
FAIR-DI Award for data handling in a PhD thesis

We are delighted to announce the FAIR-DI Award for Data Handling in a PhD Thesis. The FAIR-DI Award recognizes an exceptional PhD Thesis in the field of FAIR (Findable, Accessible, Interoperable, Re-purposable) data.

The recipient of this award will have the opportunity to present their thesis at the FAIR-DI European Conference on Data Intelligence 2024 (Karlsruhe, Germany, 27-30 Oct 2024) and will receive a prize of €2000.

published 25.06.2024
1st FAIRmat Workshop on Data Exchange and Storage in Optical Spectroscopy

On May 27-28, 2024, the 1st FAIRmat workshop on data exchange and storage in optical spectroscopy took place in Berlin and online. A report and the slides can be viewed here.

published 31.05.2024
Invited Talk online now!

Our spokesperson, Claudia Draxl, gave an invited talk in the physics colloquium at the Friedrich-Alexander-Universität Erlangen-Nürnberg on April 17, 2024. She gives a perspective on how we come "From research data to data-centric research". You can find the video online now.

published 30.04.2024
Tutorial 12 videos are now online

Recordings of FAIRmat tutorial 12 are now available on the FAIRmat and NOMAD YouTube channel! The full playlist includes:

Read more about the FAIRmat hands-on tutorial series here.

published 28.03.2024
FAIR-DI European Conference on Data Intelligence 2024

Karlsruhe, Germany, October 27 – 30, 2024.

Building on the success of previous editions, we are pleased to announce the upcoming FAIR-DI European Conference on Data Intelligence 2024. Following the remarkable achievements and insightful discussions at the 2020 and 2022 Conferences on a FAIR Data Infrastructure for Materials Genomics, we are excited to continue the discussion and further collaboration and innovation in this growing field with the theme of Data Intelligence.

published 12.03.2024
FAIRmat contribution to Love Data Week 2024

From February 12 to 14, the FAIRmat team participated in the Love Data Week 2024. The International Campaign Week was running under the theme "Your kind of data" this year.

FAIRmat contributed with a well-received social media campaign, introducing co-workers from each area within FAIRmat and giving insights into their kind of data and their everyday work life.

Our FAIRmat Tutorial 12: Getting started with NOMAD and NOMAD Oasis for research data management (RDM), given by Markus Scheidgen and Lauri Himanen was the highlight of our contributions. 

To show our love for data, our colleagues Siamak Nakhaie and Carolin Rehermann participated via coffee talks. Siamak spoke about "Copyright Fundamentals and Relevant Licenses for Research Data and Code" and Carolin about "Guide to FAIR Data Handling - Unlock the FAIRmat Advantage with NOMAD Software".

Let us keep the spirit up and celebrate our love for data all year.

published 01.03.2024
NOMAD CAMELS – get to know the newest member of our NOMAD family

NOMAD CAMELS is our new open-source software that generates future-oriented research data in line with the FAIR data principles in a simple way during experiments. Get to know more here.

published 26.02.2024
2nd FAIRmat workshop on data exchange and storage in photoemission spectroscopy

On January 24-25, 2024, the 2nd FAIRmat workshop on data exchange and storage in photoemission spectroscopy took place in Berlin and online. A report and all speaker´s slides can be viewed here.

published 06.02.2024
FAIRmat podcast now online!

On January 29, 2024, we launched the second FAIRmat podcast episode!

In this series, called Pioneers in electronic structure theory, the FAIRmat team talks with personalities who were instrumental in developing methods and codes that have come to be known as electronic structure theory. This work includes pioneering density-functional theory and methods beyond to treat many-body effects in ground-state and excitations. In the second episode, Miguel Marques talks with Ulf von Barth about his early contributions to the development of density-functional theory and many-body methods and about his work with Lars Hedin, Carl-Olof Almbladh, Robert van Leeuwen, and others. 

Ulf von Barth was a professor at Lund University in Sweden for many years. Among numerous other achievements, he developed the spin generalization of DFT, furthered our understanding of the Kohn-Sham eigenvalues, and developed variational Green’s function methods. 

Find the podcast on YouTube or enjoy the audio-only version on Spotify now!

published 29.01.2024
Invited Talks are online now!

All invited talks given during our Third FAIRmat users meeting are now online on our YouTube Channel!

Here is the entire playlist:

published 09.01.2024
FAIRmat newsletter volume 4

The December 2023 edition of the FAIRmat newsletter is now available to read here on our website! As well as project updates, this newsletter features interviews and articles from the FAIRmat community.

published 18.12.2023
LUMI at full capacity helps research into new materials for solar cells, catalysts and quantum technology

LUMI Grand Challenge – Professor of Theoretical Physics, Kristian Sommer Thygesen and his development team at the Technical University of Denmark (DTU) went all-in to utilise the full capacity of the LUMI supercomputer.

published 18.12.2023
Tutorial 11 videos online now

Recordings of FAIRmat tutorial 11 on Research data management, from fundamentals to implementation are now available on the FAIRmat and NOMAD YouTube channel! The full playlist includes:

Read more about the FAIRmat hands-on tutorial series here.

published 30.11.2023
New Task Leader in Area A

We are delighted to welcome Prof. Dr. Huayna Terraschke as a new task leader of Task A3: Synthesis from Solid Phase and Solution!

Huayna Terraschke is a junior professor at the Institute for Inorganic Chemistry at Christian-Albrecht-Universität zu Kiel.

published 28.11.2023
Third FAIRmat users meeting

The third FAIRmat users meeting took place on November 15-16, 2023, in Berlin. The event attracted a diverse group of participants, including current NOMAD users, collaborators, interested researchers, representatives from joint research projects supporting FAIRmat, and various NFDI consortia. This public event, which for the first time spanned over two days, served as a platform for community building, training, and networking, and it facilitated the exchange of valuable insights into research data management and the NOMAD infrastructure.

The program commenced with invited talks, including perspectives from early career researchers to policymakers. Dr. Michael Mößle, program director of the German Research Foundation (DFG), opened this session with an overview of the current status and future perspectives of the National Research Data Infrastructure (NFDI) and provided a funder's perspective on good practices in research data management in physics and materials science. Afterward, Dr. José Márquez Prieto, scientific coordinator of FAIRmat, presented an overview of FAIRmat and NOMAD. Finally, NOMAD users gave inspiring presentations on how NOMAD enhances their daily research activities. Dr. Pavel Ondračka, a researcher at Masaryk University, Czech Republic, presented a postdoc’s perspective on NOMAD and NOMAD Oasis for ab initio research data management, followed by Daniel Baumann, a doctoral researcher at Karlsruhe Institute of Technology (KIT), who presented his work on facilitating FAIR data principles in perovskite solar cell research using NOMAD. All presentations were streamed online via Zoom and will soon be available on our YouTube channel.

The first day was concluded with a dynamic and highly interactive poster session featuring live demonstrations of the latest NOMAD features and NOMAD CAMELS.

The second day featured a series of well-attended interactive workshops. Participants were able to engage in hands-on activities with NOMAD and explore research data management practices. In addition, the kick-off meeting for the PSinNFDI forum “Incorporating RDM education into university courses in Germany” took place. The meeting brought together educators and communicators to facilitate and harmonize educational initiatives on research data management for students in the physical sciences.

published 24.11.2023
New Task Leader in Area E

We are delighted to welcome Dr. Kevin Jablonka as a new task leader of Task E7: Artificial-intelligence Toolkit!

Kevin Jablonka is a junior research group leader at the Helmholtz Institute for Polymers in Energy Applications (HIPOLE), Center for Energy and Environmental Chemistry Jena (University Jena).

published 22.11.2023
Seminar video online now

Watch the video of Brian Pauw's talk: "Glimpses of the future, a ""full stack", highly automated materials research laboratory. Delivered in the FAIRmat Seminar on September 28, 2023.

published 01.11.2023
Using Artificial Intelligence to guide the high-throughput search for new materials

Scientists from the NOMAD Laboratory at the Fritz Haber Institute of the Max Planck Society have recently proposed a workflow that can dramatically accelerate the search for novel materials with improved properties. They demonstrated the power of the approach by identifying more than 50 strongly thermally insulating materials. These can help alleviate the ongoing energy crisis by allowing for more efficient thermoelectric elements, i.e., devices that can convert otherwise wasted heat into useful electrical voltage.

published 01.11.2023
Seminar video online now

Watch the video of Kevin Jablonka's talk: "Why machine learning can find a new material, but not a needle in a haystack". Delivered in the FAIRmat Seminar on September 15, 2023.

published 31.10.2023
New publication in Angewandte Chemie

Clara P. Marshall, Julia Schumann and Annette Trunschke published the viewpoint article “Achieving Digital Catalysis: Strategies for Data Acquisition, Storage and Use” in Angewandte Chemie.

 

Considering the scientific principles of catalysis, this article discusses the requirements for the future research data infrastructure. A paradigm shift in data acquisition and management is needed to address the challenges in developing high-performance, stable, scalable, and cost-effective catalysts for energy storage and sustainable, climate-neutral chemical synthesis.

published 26.10.2023
MOFGalaxyNet – publication out!

The paper “MOFGalaxyNet: a social network analysis for predicting guest accessibility in metal–organic frameworks utilizing graph convolutional networks” by our Mehrdad Jalali, Dinga Wonanke and Christof Wöll was published open access in the Journal of Cheminformatics.

This study presents the newly designed tool MOFGalaxyNet, a galaxy-like social network. In combination with a Graphical Convolutional Network (GCN), MOFGalaxyNet predicts the guest accessibility of a given MOF, which is a key performance parameter for this material class. MOFGalaxyNet provides a robust approach for screening MOFs for host-guest interaction studies.

published 23.10.2023
CECAM Flagship Workshop: “FAIR and TRUE Data Processing for Soft Matter Simulations”

This CECAM flagship workshop, co-organized by the FAIRmat consortium and the MoSDeF group, hosted by the Max Planck Institute for Polymer Research, brought together a diverse group of people within the molecular dynamics (MD) community: members of FAIR-data (or similar) consortia, developers of MD simulation engines, university or institutional data stewards, HPC resource managers, and researchers in the field particularly interested in the development of FAIR-data standards.

As one of the first workshops of its kind within this community, this event was designed to be discussion-focused, to make concrete proposals for addressing the significant challenges in the “Fair-ification” of molecular simulations. In addition to the invited talks and associated Q&A sessions, 5 distinct round-table discussions were held, including a final wrap-up discussion to brainstorm how to continue discussion and collaboration within the community. The discussion topics also included data provenance strategies for MD simulations, storage of simulation (meta)data, interoperability of simulation engines, and data structures for edge cases.

FAIRmat was not only represented in terms of the internal organizers and representatives from our computational area but also by our new Area C PI, Prof. Dr. Tristan Bereau, who showcased his group’s dataset of C7O2 isomers, which was used to parametrize a transferable coarse-grained force field for binary mixtures. This dataset represents the most extensive set of molecular dynamics simulations currently held in the NOMAD repository and demonstrates the potential of NOMAD as a helpful tool for the MD community.

The meeting ended with an optimistic perspective for future gatherings and collaborations between existing software projects. FAIRmat looks forward to participating in the continued developments of FAIR-data management within this community!

by Christian Schneider
published 18.10.2023
NOMAD published in The Journal of Open Source Software

Our NOMAD software is now published in The Journal of Open Source Software, an open-access journal for research software packages. NOMAD is a web-based application that provides data management for materials science research data. 

published 18.10.2023
FAIRmat participation at CoRDI 2023

From September 12-14, 2023, the Association Nationale Forschungsdateninfrastuktur (NFDI) hosted the 1st conference on research data infrastructure (CoRDI) at the Karlsruhe Institute of Technology. These three days brought together all of the NFDI consortia and research data management (RDM) experts from around the world to exchange ideas and connect our community. 

Team members representing several different FAIRmat Areas attended. FAIRmat contributed to the conference with two talks and two posters. Heiko Weber (leader of Area B: Experiment) presented a talk titled “Research Data Management for Experiments in Solid-State Physics: Concept”, and Markus Scheidgen (Infrastructure coordinator) presented a talk titled “FAIR research data with NOMAD”. Two FAIRmat poster contributions were also presented: “FAIRmat guide to writing data management plans” by Ahmed Mansour (coordinator of Area F: User support, training, and outreach) and  “Towards FAIR data in heterogeneous catalysis research” by Julia Schumann (catalysis expert in Area E: Use case demonstrators).

In addition to the oral and poster presentations, our outreach team was also present at the FAIRmat stand at the “Marketplace of the consortia”, where we chatted with the conference participants about FAIRmat and NOMAD and explored possible opportunities for collaboration.

To view our contributions, you can visit the FAIRmat community on Zenodo. To view other contributions to the conference, check out the conference proceedings or the CoRDI community on Zenodo

The 2nd CoRDI will take place in 2025, we look forward to meeting you there!

A photograph of several FAIRmat team members standing around a sculpture at the KIT.

published 22.09.2023
FAIR4Chem Award 2024 - Application open!

Our sibling consortia NFDI4Chem awards the FAIRest dataset in chemistry! The FAIR4Chem Award honors researchers in chemistry who publish their research datasets according to the FAIR principles, thus making a significant contribution to increasing transparency in research and the reuse of scientific knowledge. Apply until November 17, 2023.

published 12.09.2023
Seminar video now online

Watch the video of Maia G. Vergniory's talk, originally delivered in the FAIRmat seminar on July 28, 2023.

published 01.09.2023
FAIRmat podcasts now online!

On July 25, 2023, we launched the very first FAIRmat podcast series!

In this series, called Pioneers in electronic-structure theory, the FAIRmat team talks with personalities who were instrumental in the development of methods and codes which have come to be known as electronic-structure theory. This includes pioneering work in density-functional theory and methods beyond to treat many-body effects in ground-state and excitations. For our first episode, Miguel Marques talks with Hardy Groß about the early days of density-functional theory, the development of time-dependent DFT (TDDFT)together with Erich Runge, his days in Santa Barbara with Walter Kohn, and much more.

Find the podcast on YouTube or enjoy the audio-only version on Spotify now, and subscribe to make sure the second episode (coming soon!) appears in your feed.

published 25.07.2023
Colloquium video now online

Taylor D. Sparks' talk "Materials informatics: Moving beyond screening via generative machine learning models", given in the Physical Sciences in NFDI colloquium on June 15, 2023, is now available to watch on our YouTube channel! 

published 10.07.2023
Congratulations to Prof. Dr. Erich Runge

In April 2023, Prof. Dr. Erich Runge, PI in FAIRmat Area F, joined the executive board of the German Physical Society (DPG) as the representative for education and young scientists (Vorstandsmitglied Bildung und wissenschaftlicher Nachwuchs). Read more on the DPG website

published 07.07.2023
We are hiring!

We are looking for an expert in outreach and science communication to join our Area F team in Berlin! In this role you will:

  • Initiate, plan, and execute outreach activities;
  • Organize tutorials, workshops, schools, and other events;
  • Interact with developer teams and domain experts, and organize internal team building events;
  • Act as the FAIRmat community manager;
  • Support and manage national and international scientific collaborations;
  • Prepare newsletters, informational brochures, flyers, and other outreach materials;
  • Present the project at national and international conferences;
  • Manage and update the webpage and social media channels of FAIRmat;
  • Be the point of contact with the outreach representatives of other related projects and the NFDI.

Read the full job description and application instructions here.

published 06.07.2023
Tutorial videos now available

Recordings of FAIRmat tutorial 10 on FAIR electronic-structure data in NOMAD: ground state, excitations, and complex workflows are now available on the FAIRmat and NOMAD YouTube channel! The full playlist includes:

Read more about the FAIRmat hands-on tutorial series here.

published 04.07.2023
Video available now!

On June 28, 2023 our infrastructure coordinator Markus Scheidgen gave the talk FAIR research data management for materials science with NOMAD at the FDM Thüringen Coffee Lecture.

If you missed the talk (or want to watch it again!) you can now find the slides on Zenodo and the video on YouTube

We would like to thank the hosts for this opportunity to talk about FAIR data and NOMAD!

published 30.06.2023
FAIRmat is hiring!

There are now several opportunities available to join the FAIRmat team! We are looking for:

  • Data expert in biophysics / life science for Area E
  • Optoelectronic materials data scientist for Area E
  • Materials synthesis data scientist for Area A
  • MSc researcher in The Material Genealogy Initiative: Metadata Visualisation at Humboldt-Universität zu Berlin

View all of the full job descriptions and apply online here.

published 29.06.2023
When all details matter: Heat Transport in Energy Materials

Researchers at the NOMAD Laboratory at the Fritz Haber Institute of the Max Planck Society have shed light of the microscopic mechanisms that determine thermal conduction in heat insulators. Powered by the advances made in the NOMAD CoE, their computational research has shown that even short-lived and microscopically localized defect structures have a substantial impact on macroscopic transport processes. This discovery could contribute to more energy-efficient technologies by allowing for the tailoring of nanoscale thermal insulators through defect engineering.

published 27.06.2023
New Task Leader in Area C

We are delighted to welcome Prof. Dr. Tristan Bereau as the new leader of Task C2: Classical Simulations and Multi-scale Modeling!

Tristan Bereau is a professor at the Institute for Theoretical Physics at Heidelberg University.

published 27.06.2023
Community agrees on NXmpes

Photoelectron spectroscopy users from several research institutes and technology partners from industry came together in a workshop on 11-12 May 2023 organized by FAIRmat. This was our second community meets technology partners workshop, after the successful ellipsometry meeting in September 2022. The hybrid event provided an opportunity to discuss FAIR data management and the specific technical solutions developed within FAIRmat for standardizing data and metadata storage and exchange in photoelectron spectroscopy experiments. Read more about the workshop and the Community Meets Technology Partners workshops on the event webpage.

 

published 19.06.2023
Second FAIRmat users meeting

The second FAIRmat user’s meeting took place on June 7, 2023 in Berlin. This highly anticipated public event attracted a diverse audience including users, collaborators, interested researchers, and representatives of other NFDI consortia. The meeting provided an invaluable platform for knowledge sharing, networking, and fostering collaboration within the community. The event commenced with an engaging introduction to FAIRmat presented by FAIRmat’s co-spokesperson, Prof. Christoph T. Koch. This was followed by an inspiring invited talk delivered by Prof. Carmen Herrmann, a user of NOMAD Oasis. The FAIRmat experts then presented a series of talks on research data management and NOMAD use cases.  All the talks were made accessible to a wider audience through live zoom broadcast and can now be viewed on our YouTube channel. The event's program also featured a poster session held in the foyer of the IRIS building. This dynamic session showcased 25 informative posters on ongoing developments in FAIRmat, other NFDI consortia and recent results from RDM practitioners. Participants had the opportunity to engage in lively discussions, exchange ideas, and forge new connections while exploring the diverse range of topics presented.

The poster session gave our team a great chance to get to know the community and our users better.
published 16.06.2023
FAIRmat hands-on tutorial

Join us online for the 10th FAIRmat hands-on tutorial on June 14, 2023!

The FAIRmat consortium aims to extend the current NOMAD Lab (meta)data structure to a large variety of materials-science data. Given our strong foundation in computational data, especially DFT, we are now extending our scope. In this tutorial, we will explain the (meta)data structure for ab initio calculations, with an emphasis on precision and on going beyond the accuracy limits of DFT.

This tutorial is suitable for new and experienced researchers who want to learn about the latest features in treating DFT and beyond DFT methodologies. We will give a brief introduction to the NOMAD Lab and the FAIRmat consortium, followed by a guided tutorial where we will:

  • Show you how you can upload, publish, and explore ab initio computational data.
  • Show you how to define your own complex workflows, linking between DFT and beyond DFT calculations.
  • Give you examples of the post-processing capabilities of the NOMAD Lab.
published 23.05.2023
New Task Leader in Area B

We are delighted to welcome Prof. Dr. Erdmann Spiecker as the new leader of Task B1: Electron Microscopy and Spectroscopy

Prof. Dr. Spiecker is the head of the Institute of Micro- and Nanostructure Research at the Friedrich-Alexander-Universität Erlangen-Nürnberg.

published 22.05.2023
Physical Sciences in NFDI colloquium

On June 15, 2023 at 11:00, in Berlin and online, Taylor D. Sparks (University of Utah) will give the talk Materials informatics: Moving beyond screening via generative machine learning models.

Read the abstract and register here.

This event is hosted by FAIRmat as a member of Physical Sciences in NFDI. Physical Sciences in NFDI is a collaboration between the NFDI consortia DAPHNE4NFDI, FAIRmat, MaRDI, NFDIMatWerk, NFDI4Cat, NFDI4Chem and PUNCH4NFDI. We unite experts on a broad spectrum of topics in physics, chemistry, mathematics and informatics. In our talk series we invite leading scientists to showcase good data practices to an international, interdisciplinary audience. 

published 12.05.2023
FAIRmat documentation workshop

On 8-9 May, members of the NOMAD development team and FAIRmat domain experts met with Daniele Procida and Teodora Mihoc of Canonical for an interactive workshop on the Diátaxis framework for writing documentation.


The idea of Diàtaxis is to split documentation into distinct categories based on whether it should share practical or theoretical skills, and whether it should aid study or active work. After discussing this setup and how it fits with the needs of NOMAD users, the team got down to identifying how we can make the NOMAD documentation more effective and easy to use. Watch this space for developments in the very near future!

Hands-on team activities had everyone actively engaging with documentation, whether they joined us in Berlin or online.
published 10.05.2023
New tutorial videos available

Recordings of the FAIRmat tutorials

are now available on our YouTube channel! Read more about all of our tutorials here.

published 27.04.2023
We are hiring!

We are looking for an expert for biophysical data to join our team in Berlin!

In this role you will...

  • Be responsible for the development of the biophysics-specific aspects within the consortium FAIRmat, and interact with external partners;
  • Build and maintain a network of stakeholders in the data-intensive field of biophysical research in Germany. A particular focus will be the handling of biophysical data from techniques such as electron microscopy and molecular simulations.

The full job description and application form are available here.

published 19.04.2023
DPG Spring Meeting 2023

The FAIRmat team participated in a variety of ways at the DPG-Frühjahrstagung 2023 (DPG Spring Meeting) of the Condensed Matter Section (SKM) in Dresden and had a great time talking to the condensed-matter community about FAIR data management!

FAIRmat organized the special plenary talk discussion “NFDI and FAIR research data: benefit or burden?” with the panel members comprising Michael Mößle (DFG), Claudia Draxl (FAIRmat, Humboldt-Universität zu Berlin), Ralph Claessen (Universität Würzburg) and Frank Schreiber (DAPHNE4NFDI, Universität Tübingen). Michael Mößle (DFG) started the discussion by stressing the need to better use scientific data and outcomes of DFG funded projects, and the fact that developing the standards and best practices for FAIR data management should be driven by the community for each discipline, due to different requirements of each field. The topics discussed included the implications of FAIR data management on the community, the need to provide a protective space for scientists to work with their data, and standards to control electronic lab note books (ELNs) usage and training. 

The discussion was then open to the audience, which was lively, and we saw that our community are interested in FAIR data issues and are thinking about how to overcome the hurdles associated with FAIR research data management.

 

In the focus session Making Experimental Data F.A.I.R. – New Concepts for Research Data Management a variety of speakers including several members of our team spoke about their experiences implementing FAIR research data management practices such as exper

imental data and meta data generation workflows, meta data schemas and file formats, electronic lab notebooks, novel tools for handling and analyzing scientific research data

Finally, our team were at the FAIRmat and DAPHNE4NFDI booth to meet the community, inform people about FAIR data management, and chat with them about our work. Whether people were learning about FAIR data for the first time or coming to us as seasoned experts, the conversations were engaging and we had a great time meeting everyone!

If you missed the chance to see our talks or meet us at the booth, you can

  • Check out past talks about our work on YouTube.
  • Read our brochure on data management plans here on our website.
  • Reach out to us any time at fairmat@physik.hu-berlin.de.
published 04.04.2023
FAIRmat hands-on tutorial

We are excited to announce our upcoming FAIRmat tutorial on extending NOMAD and NOMAD Oasis.

NOMAD is a research data management platform for materials science. NOMAD Oasis allows you to operate the popular NOMAD service for your own lab, with your rules, and on your resources. You can adopt NOMAD Oasis to implement your institutes data policies and to work with your specific data types and workflows.

This tutorial aims to introduce participants to the new plugin mechanism in NOMAD and teach them how to develop and integrate their own Python schemas and parsers to a NOMAD Oasis. Plugins enable you to alter how NOMAD processes data and therefore allow for more powerful customisations than the custom schemas presented in past tutorials. Participants will learn how to enable the conversion of new materials science data formats into NOMAD's standardised and machine-readable format. NOMAD plugins can be contributed to the community to further promote reproducibility and transparency in materials science.

published 03.04.2023
New guide to data management plans

The FAIRmat guide to writing a Data Management Plan (DMP) is now available on our materials page.

This quick guide outlines what a DMP is, why it is important and how to approach writing one. It includes guidelines from the DFG but the advice is relevant to any researcher writing or contributing to a DMP.

published 22.03.2023
New NOMAD website

The brand new NOMAD website has been launched! The new website features a modern and sleek design that is easy to navigate and provides a comprehensive overview of NOMAD's unique features and benefits. We have also incorporated new sections that showcase the solutions we offer, the latest infrastructure updates, our tutorials and the various channels available for user support. 

Whether you are a frequent NOMAD user or just learning about it for the first time, the new webpage will provide you with all the information you need to get started and make the most of NOMAD.

Visit the new webpage at https://nomad-lab.eu/.

published 14.03.2023
FAIRmat hands-on tutorial

On March 15, our FAIRmat hands-on tutorial series continues with a tutorial on Using NOMAD as an Electronic lab notebook (ELN) for FAIR data.

Approaching the era of big data-driven materials science, one crucial step to collecting, describing, and sharing experimental data is the adoption of electronic laboratory notebooks (ELN). At present, most synthesis data are not structured comprehensively , but FAIRmat is offering a solution by developing and operating the open-source software NOMAD. 

In this tutorial, we demonstrate the usage of NOMAD as an ELN which enables the users to generate data following the FAIR principles. We will show how we adopted NOMAD to capture data from synthesis and experiment and make use of an automated data workflow. 

published 20.02.2023
New Task Leader in Area B

FAIRmat is delighted to welcome Dr. Laurenz Rettig as the leader of Task B2: Angle-resolved Photoemission

Dr. Rettig is the leader of the Dynamics of Correlated Materials group at the Fritz Haber Insitute of the Max Planck Society.

published 15.02.2023
New Task Leader in Area E

We are happy to welcome Prof. Dr. Hongbin Zhang as the newest leader of Task E4: Magnetism and Spintronics

Prof. Dr. Zhang leads the Theory of Magnetic Materials Group at the Department of Materials and Geosciences, TU Darmstadt.

published 08.02.2023
Article "Früh zur Datenkompetenz" now available

The Physik Journal article "Früh zur Datenkompetenz", coauthored by Michael Krieger (Area D) and Heiko Weber (Areas B&D) is now publicly available online! This article discusses the authors' experiences teaching data management skills to undergraduate students, and the importance of learning about data management and good scientific practice early in one's physics career.

published 02.02.2023
We are hiring!

We are looking for a Training and Documentation Expert for Research Data Management in Materials Science to join the FAIRmat team! 

In this role you will...

  • be responsible for developing training and documentation materials for both researchers and trainers.
  • establish a web-based platform containing these materials (videos, online courses, exercises, documentation, etc.). This platform will train users how to implement research data management with FAIRmat’s data infrastructure NOMAD.
  • work at the interface between the infrastructure developers and the outreach team.
  • present the materials at research institutions, workshops, and international conferences.

There will also be the possibility to pursue a doctorate in the field of physics (didactics). 

The full job description and instructions on how to apply are available here.

published 17.01.2023
FAIRmat hands-on tutorial

On February 15, our FAIRmat hands-on tutorial series continues with a tutorial on Molecular Dynamics Trajectories and Workflows in NOMAD.

The FAIRmat team has recently extended the NOMAD infrastructure to support trajectories and workflows, including classical molecular dynamics simulations. This interactive tutorial will walk users through the new features, demonstrating how to upload data, assess the system composition and equilibration, explore the trajectory metadata, and extract archive entries to perform detailed analyses.

published 13.01.2023
FAIRmat newsletter volume 2

The December 2022 edition of the FAIRmat newsletter is now available to read here on our website! As well as project updates, this newsletter features interviews and articles from the FAIRmat community.

published 19.12.2022
Tutorial 6 videos now available

Recordings of the FAIRmat tutorial on Experimental data management in NOMAD are now available on YouTube !

The YouTube playlist includes the following sessions:

All information about the tutorial can be found on the tutorial event page

published 14.12.2022
NFDI Physical Sciences Joint Colloquium

On Monday January 9 2023 at 16:00 CET, Susanna-Assunta Sansone of the Oxford e-Research Centre will give the talk FAIR data: no longer optional, but it takes a village! live online at the NFDI Physical Sciences Joint Colloquium.

For more information ont this talk or the colloquium series, see the event page

Abstract

The FAIR Principles, we have co-authored, have propelled the global debate in all disciplines on the importance of Findable, Accessible, Interoperable, and Reusable data, by humans and machines, and the need for better research data management, transparent and reproducible data worldwide. FAIR has united stakeholders world-wide behind a common concept: good data management under common standards. FAIR is a fundamental enabler for digital transformation in the public and in the private sectors. It is no longer optional. However, the FAIR Principles are aspirational, and putting FAIR into practice is work in progress; it “takes a village”!

Starting with a brief history of the Principles, Susanna will paint the landscape of key initiatives and community activities for FAIR data, including resources like FAIRsharing (https://fairsharing.org/) for standards, databases and policies, tools like ISA (https://isa-tools.org) for describing the experimental details, and educational resources such as the FAIR Cookbook (https://faircookbook.elixir-europe.org) with best practices for research data management and hands-on recipes to make and keep data FAIR.

published 12.12.2022
Seminar video now available

The video of the talk Multi-method, multi-messenger approaches to models of strong correlations given by Thomas Schäfer of the Max Planck Institute for Solid State Research on November 24, 2022 is now available on YouTube.

Abstract: The Hubbard model is the paradigmatic model for electronic correlations. In this talk I present a general framework for the reliable calculation of its properties, which we coined 'multi-method, multi-messenger' approach. I will illustrate the power of this approach with three recent studies: (i) an extensive synopsis of arguably all available finite-temperature methods for the half-filled Hubbard model on a simple square lattice in its weak-coupling regime and (ii) a complementary subset of those applied to the Hubbard model on a triangular geometry. While the former example fully clarifies the impact of spin fluctuations and tracks it footprints on the one- and two-particle level, the latter exhibits the intriguing interplay of geometric frustration (magnetism) and strong correlations (Mottness). As a last example, (iii) I will show the application to a model system for the magnetic properties of an actual material, the infinite layer nickelate compound LaNiO2, whose magnetic susceptibility exhibits non-Curie-Weiss behavior at low temperatures . These examples may work as a blueprint for similar future studies of strongly correlated systems.

published 12.12.2022
FAIRmat users meeting: videos now online!

The first FAIRmat users' meeting took place on November 16 2022 as part of the FAIRmat project meeting in Berlin. The event offered an opportunity for current users, potential users, and scientists interested in research data management to learn about the activities of FAIRmat and talk directly to our experts. The event was well attended both on-site and in the virtual room on Zoom. 

The program started with an overview talk by the FAIRmat spokesperson Prof. Claudia Draxl, followed by presentations from represenatives of various FAIRmat areas to explain the tools and applications of FAIRmat.

The FAIRmat team in action
Claudia Draxl
Claudia Draxl, Spokesperson
Sebastian Brückner, Area A
José Antonio Márquez Prieto, Area E
Sandor Brockhauser, Area B
Luca Ghiringhelli, Area C
Ahmed Mansour, Area F

Invited speakers included two current users, Prof. Lorenz Romaner from Montanuniversität Leobenand Dr. Michael Götte from the Helmholtz-Zentrum Berlin, and prospective user Prof. Carlos-Andres Palma from the Chinese Academy of Sciences and Humboldt-Universität zu Berlin.

Our guest speakers
Michael Götte
Lorenz Romaner
Carlos-Andres Palma

All of the talks are now available to watch on our YouTube channel. 

published 25.11.2022
We are hiring!

FAIRmat and the NOMAD HUB - NOMAD Data Center at Humboldt-Universität zu Berlin are seeking several highly qualified and motivated software engineers to join the dynamic NOMAD team towards shaping the future of materials science!

We offer a stimulating, multidisciplinary working environment, a pay scale classification (TV-L), ample development opportunities, and flexible working hours. You will work at the FAIRmat headquarters, the brand-new NOMAD Data Center at HU Berlin. 

These positions are limited until 30 September 2026 with a perspective towards prolongation. 

Read the full job advert and apply online here.

published 24.11.2022
Second FAIRmat Project meeting

The second FAIRmat project meeting took place on November 14-16 2022, at the FAIRmat headquarters
in the Integrated Research Institute for the Sciences (IRIS) of the the Humboldt-Universität zu Berlin.

All team members including PIs, FAIRmat domain experts and external collaborators gathered together to report on their achievements, progress and challenges during the past six months, and to plan activities for the upcoming period of the project. The meeting offered an opportunity for discussions within each Area as well as inter-Area discussions on topics of common interest and involvement.

 

published 22.11.2022
NFDI Physical Sciences Joint Colloquium

On Wednesday December 7 2022 at 10:30 CET, John R. Helliwell of the University of Manchester will give the talk Applying the FAIR Principles to Crystallography Data Publication – a use case for DAPHNE4NFDI? at the NFDI Physical Sciences Joint Colloquium in Hamburg and online.

For more information and the registration link see the event page

Abstract

Crystallography is a discipline which has strived for decades to ensure availability of its data with its publications. This has involved harnessing digital storage media at every stage of their development through punched cards, magnetic tapes, disks and exemplified today by ‘the cloud’. Crystallography has a highly developed databases’ infrastructure which commenced with the Cambridge Structure Database in the 1960s and to the Protein Data Bank from 1971 onwards. There are community-agreed processed diffraction data and model validation checks that are routinely made, known as the Crystallographic Information Framework. Although this system is not perfect, it provides the best chance for ensuring reliability and thereby trust in what we do. This approach is summed up by the FAIR (Findable, Accessible, Interoperable, and Reusable) movement. More generally, the funding agencies, in their response to governments and taxpayers, also seek faster discoveries and, if possible, better value for their money. Thus, raw data could be released for use beyond the original research team, usually after an embargo period of typically 3 years. There is an expansion of the synchrotron, X-ray laser and neutron facilities’ capacities to archive raw data. The colossal expansion of the raw data archives presents excellent
opportunities to all scientists, including users of the photon and neutron facilities. In Germany the National Research Data Infrastructure Germany (NFDI) is bringing proper data management tools and metadata harvesting to many science areas including the photon and neutron sciences (DAPHNE4NFDI, DAta from PHoton and Neutron Experiments). DAPHNE4NFDI offers an exemplary approach to research raw data management strategy from proposal, to data catalogue to linking to publication.

published 15.11.2022
Tutorial videos now available

Recordings of the FAIRmat tutorial on NOMAD Oasis and FAIR data collaboration and sharing are now available on YouTube !

The YouTube playlist includes the following sessions:

All information about the tutorial including slides & the link to the YouTube playlist can be found on the tutorial 5 page

published 19.10.2022
Community Agrees on NXellipsometry

On September 22-23, 2022, FAIRmat Area B held the Workshop on data exchange and storage in ellipsometry in Leipzig. This was the first workshop in the Community meets technology partners series, which aims to lay a foundation of cooperation for users and vendors to work together on making experimental data FAIR. At this first meeting, members of the scientific community and the technology partners worked together towards the goal of FAIR data handling in ellipsometry. Their very fruitful discussion was focused on reviewing a specific application definition, NXellipsometry, in detail.

You can read more about this workshop and the whole event series on the event page.

published 10.10.2022
FAIRmat is one year old!

In October 2022 we are celebrating our first anniversary! As we look back on everything we have accomplished in our first year, we want to thank all of the researchers, developers and other colleagues who have joined our team so far!

published 07.10.2022
Colloquium video now available

On Friday Septmber 9, Christopher M Wolverton of Northwestern University gave the talk The Phase Diagram of All Inorganic Materials at the NFDI Physical Sciences Joint Colloquium in Berlin.
The colloquium is now available to watch on our YouTube channel.

You can also read a review of the event on the MatWerk website. 

Abstract
One of the holy grails of materials science, unlocking structure-property relationships, has largely been pursued via bottom-up investigations of how the arrangement of atoms and interatomic bonding in a material determine its macroscopic behavior. Here we consider a complementary approach, a top-down study of the organizational structure of networks of materials, based on the interaction between materials themselves. We demonstrate the utility of applying network theory to materials science in two applications: First, we unravel the complete “phase stability network of all inorganic materials” as a densely-connected complex network of 21,000 thermodynamically stable compounds (nodes) interlinked by 41 million tie-lines (edges) defining their two-phase equilibria, as computed by high-throughput density functional theory. Using the connectivity of nodes in this phase stability network, we derive a rational, data-driven metric for material reactivity, the “nobility index”, and quantitatively identify the noblest materials in nature. Second, we apply network theory to the problem of synthesizability of inorganic materials, a grand challenge for accelerating their discovery using computations. We use machine-learning of our network to predict the likelihood that hypothetical, computer generated materials will be amenable to successful experimental synthesis.

published 20.09.2022
New publication

The paper Similarity of materials and data‑quality assessment by fingerprinting by Martin Kuban, Šimon Gabaj, Wahib Aggoune, Cecilia Vona, Santiago Rigamonti and Claudia Draxl appeared in the October 2022 MRS Bulletin.

Abstract
Identifying similar materials (i.e., those sharing a certain property or feature) requires interoperable data of high quality. It also requires means to measure similarity. We demonstrate how a spectral fingerprint as a descriptor, combined with a similarity metric, can be used for establishing quantitative relationships between materials data, thereby serving multiple purposes. This concerns, for instance, the identification of materials exhibiting electronic properties similar to a chosen one. The same approach can be used for assessing uncertainty in data that potentially come from different sources. Selected examples show how to quantify differences between measured optical spectra or the impact of methodology and computational parameters on calculated properties, like the density of states or excitonic spectra. Moreover, combining the same fingerprint with a clustering approach allows us to explore materials spaces in view of finding (un)expected trends or patterns. In all cases, we provide physical reasoning behind the findings of the automatized assessment of data.

published 19.09.2022
FAIRmat featured in the Adlershof Journal

The latest edition of the Adlershof Journal included an article interviewing our spokesperson Claudia Draxl about the work of FAIRmat. 

You can read the article online for free or find a paper copy in one of the Adlershof Technology Center buildings

published 12.09.2022
NFDI Physical Sciences Joint Colloquium

On Friday Septmber 9 at 11:00 CEST, Christopher M Wolverton of Northwestern University will give the talk The Phase Diagram of All Inorganic Materials at the NFDI Physical Sciences Joint Colloquium in Berlin and online.

For full information and the registration link see the event page

 

Abstract

One of the holy grails of materials science, unlocking structure-property relationships, has largely been pursued via bottom-up investigations of how the arrangement of atoms and interatomic bonding in a material determine its macroscopic behavior. Here we consider a complementary approach, a top-down study of the organizational structure of networks of materials, based on the interaction between materials themselves. We demonstrate the utility of applying network theory to materials science in two applications: First, we unravel the complete “phase stability network of all inorganic materials” as a densely-connected complex network of 21,000 thermodynamically stable compounds (nodes) interlinked by 41 million tie-lines (edges) defining their two-phase equilibria, as computed by high-throughput density functional theory. Using the connectivity of nodes in this phase stability network, we derive a rational, data-driven metric for material reactivity, the “nobility index”, and quantitatively identify the noblest materials in nature. Second, we apply network theory to the problem of synthesizability of inorganic materials, a grand challenge for accelerating their discovery using computations. We use machine-learning of our network to predict the likelihood that hypothetical, computer generated materials will be amenable to successful experimental synthesis.

published 29.08.2022
FAIRmat hands-on tutorial

The FAIRmat hands-on tutorial series will resume on October 5-6, 2022 with Tutorial 5: NOMAD Encyclopedia. 

The tutorial will take place on Zoom. For a full description and registration see the tutorial page

published 29.08.2022
New Task Leader in Area B

FAIRmat is delighted to welcome Dr. Walid Hetaba as the leader of Task B3: Core-level Spectroscopy

Dr. Hetaba is the leader of the Electron Microscopy group in the department Heterogeneous Reactions at the Max Planck Institute for Chemical Energy Conversion (MPI CEC)

published 22.08.2022
New Leader in Area B

We are delighted to welcome Prof. Dr. Heiko Weber as the new leader of FAIRmat Area B: Experiment!

Prof. Dr. Weber is head of the Chair of Applied Physics at the Friedrich-Alexander-University and leader of FAIRmat Task D5: Configurable Experiment Control Systems

published 22.08.2022
Conference videos now available

Videos of talks from this year's FAIR-DI Conference on a FAIR Data Infrastructure for Materials Genomics are available on the conference's KouShare page under "videos". You can also find the links for specific talks on our conference program page

published 03.08.2022
We are hiring!

** The position is no longer available**

We are looking for a Data Steward for FAIRmat Task E2: Heterogeneous Catalysis. This role involves:

Developing web-based applications for data acquisition, storage and visualization of data in Heterogeneous Catalysis
Working at the interface between catalysis research and information technology
Mediating communication between the project partners in Task E2 and establish connections with other use cases, such as battery materials, metal organic frameworks, and optoelectronics, as wekk as with other NFDI initiatives.


Interested? You can view the full advert and apply now on our careers page.

 

published 02.08.2022
High-Throughput DFT Calculations will Guide the Development of Nanoengineered Brain Sensors

The number of serious brain disorders and deaths worldwide caused by diseases of the nervous system has risen sharply in recent decades. Despite huge advances in neuroscience over the past century, our understanding of the brain is still far from complete. To understand the causes and to aid the growing number of affected people, we need to be able to study the brain more closely. New tailored sensors measuring small electromagnetic fluctuations produced by active neurons could contribute to rapidly developing treatments for brain disorders.

published 04.07.2022
We are hiring!

We are looking for a project assistant to help the FAIRmat team with:

  • Administrative support
  • Administration of third-party funds
  • Organization of internal and international events


This is an E8 TV-L position, initially limited until September 2026 but with an extension being sought, with the possibility to work part-time. The full job description and instructions on how to apply are also available on our jobs page (EN) or the Humboldt University site (DE).

 
 

published 16.06.2022
Conference program now online

The second International FAIR-DI Conference on a FAIR Data Infrastructure for Materials Genomics will take online place from July 12-15, 2022. The full program of 78 talks by experts in Data management, Experimental and computational databases, Exascale computing, High-throughput experiments and computations and Machine learning, is now available to view or download here

Registration for the conference is free and open until June 30, 2022. 

published 09.06.2022
Tutorial videos now available

Recordings of the FAIRmat tutorial on NOMAD Oasis and FAIR data collaboration and sharing are now available on YouTube !

The YouTube playlist includes the following sessions:

All information about the tutorial including slides & the link to the YouTube playlist can be found on the tutorial event page

published 16.05.2022
Colloquium video now available

The video of the talk The Next Decade of the US Materials Genome Initiative given by James A Warren at the NFDI Physical Sciences Joint Colloquium on May 5, 2022 is now available on YouTube.

Abstract: The US Materials Genome Initiative has just begun its second decade. With a goal of accelerating the discovery, design, development, and deployment of new materials into manufactured products, the MGI is focused on the creation of a materials innovation infrastructure.

My institution, the National Institute of Standards and Technology (NIST), has framed its support for the MGI around the need for a data infrastructure that enables the rapid discovery of existing data and models, the tools to assess and improve the quality of those data, and finally the development of new methods and metrologies based on that data. In partnership with agencies across the government, academia, industry, and synergistic efforts around the globe, these approaches are now yielding significant advances.  

Of particular note is the potential for machine learning and artificial intelligence applications upon these troves of data, which is now being borne out, and the vast consequent opportunities for new discoveries. Additionally, and in light of the many changes in how materials R&D is done, the MGI is has just released a new strategic plan, charting a plan for the next 10 years of an evolving materials innovation infrastructure, which I will review in this lecture. 

The link can also be found in our video library or along with other information about the colloquium on the event page. 

published 13.05.2022
NFDI Physical Sciences Joint Colloquium

The first talk of the NFDI Physical Sciences Joint Colloquium will be given by James A. Warren, Director of the NIST Materials Genome Program, on May 5, 2022. 
This will be a hybrid event, taking place in Berlin-Adlershof and on Zoom. 

More information and registration can be found here.

published 02.05.2022
Colloquium video now available

The video from Hans-Joachim Bungartz' talk An Infrastructure for the Infrastructure at the FAIR-DI - FAIRmat Colloquium on April 7, 2022 is now available on our website and on YouTube.

published 14.04.2022
Tutorial videos now available

Videos from the tutorial on the NOMAD Artificial-Intelligence (AI) Toolkit, which took place on April 6-7, 2022, are now available on YouTube and Koushare

More information about the event and links to all videos can also be found on the Tutorial 3 page.

published 12.04.2022
FAIR-DI - FAIRmat colloquium

At our next FAIR-DI - FAIRmat Colloquium on April 7, Hans-Joachim Bungartz will talk about Providing Infrastructure for the Infrastructure.

published 29.03.2022
High-throughput workflows with ASR and MyQueue

The Atomic Simulation Recipes (ASR) is an open source Python framework for working with atomistic materials simulations in an efficient and sustainable way that is ideally suited for high-throughput computations. ASR contains a library of recipes, or high-level functions, that define specific atomistic simulations tasks using the Atomic Simulation Environment (ASE). The recipes can be combined into workflows that perform complex simulation tasks while keeping track of relevant metadata to ensure documentation and reproducibility of the data. The ASR also contains functionality for collecting the resulting data into databases and presenting them in a browser. 

published 28.03.2022
FAIRmat hands-on tutorial

On April 6 & 7, our FAIRmat hands-on tutorial series continues with a tutorial on the NOMAD Artificial-Intelligence (AI) Toolkit, the platform for running (jupyter) notebooks to analyse with AI tools the data contained in the NOMAD Archive. 

We will cover, in an interactive, hands-on fashion, the several aspects of the AI-toolkit: the query over the NOMAD Archive via the NOMAD API, the basic notebooks for learning AI methods, and the advanced notebooks, where the workflow of relevant publications, in which AI is applied to materials science, can be interactively reproduced and further explored. Furthermore, we will introduce the local AI-toolkit app that allows to run a local version of the notebooks, e.g., to combine own data with the NOMAD Archive data. 

At the end of the first day, few tutorial notebooks will be suggested to be perused by the participants before the second day starts. In the second day, break-out rooms will be organized, and in each room one of the selected tutorial notebooks will be discussed.

published 26.03.2022
Massively Parallel Coupled Cluster Theory Calculations for Materials Science

NOMAD CoE researchers from TU Wien and the Fritz Haber Institute have developed novel computer codes to enable massively parallel and highly accurate coupled cluster theory simulations of materials.

published 23.03.2022
NFDI NeXus Workshop

More and more demand is generated by large funding agencies around the world that researchers publish their data in open-access repositories in a reusable, FAIR way. This is also supported by EU and German federal research agencies as shown by the developments of the European Open Science Cloud (EOSC), and German National Research Data Infrastructure (NFDI) projects. 

Such a movement requires that the data is annotated with well defined metadata, where the naming convention also follows standards. In order to achieve this, researchers have to be able to access the measured raw data together with any results derived by subsequent data processing. 

The workshop reviews the opportunities provided by the scientific community standard NeXus.

We are happy to invite you for the NFDI NeXus Workshop to discuss the use of the NeXus glossary/ontology, corresponding data format and FAIR Data management in general.

 

published 17.03.2022
FAIRmat hands-on tutorial

On March 9 and 10, our FAIRmat hands- on tutorial series continues with a tutorial on ELNs and FAIR data management.

This tutorial is reviewing the need of using electronic lab notebooks (ELNs) in materials science research labs, synthesis, and experimental characterisation facilities. A special emphasis is put on efficiently collecting all metadata and performing FAIR data management which not only facilitates organising the work better and making the processes in the lab more performant but also guarantees the possibility of data reuse via offering machine readability and machine interpretability.

The tutorial is also addressing the questions: Which kind of choices are available and how to set up such ELN system for a laboratory? A demonstration of such a lab setup will also be provided on the first day.

On the second day, three more presentations will guide you through the details of implementing such a setup for your own lab. For this purpose, we have chosen relevant, but simple use cases which can help you in mapping our strategies and solutions onto your institute.

Program

Mar 9, 2022:
Overview Talk
15:00 CET - John Henry Scott (NIST): Data-Centric Materials Science - The Critical Role of ELNs
16:00 CET - Mark Greiner: ELNs in FAIR data management

Hands-on Tutorial
17:00 CET - Christoph T. Koch: Demonstration of the eLabFTW and NOMAD in daily use
18:00 CET - End of the 1st day

Mar 10, 2022:
10:00 & 16:00 CET - José Márquez: Setting up eLabFTW for a simple lab
10:30 & 16:30 CET - Sherjeel Shabih: Integrating eLabFTW and NOMAD
11:15 & 17:15 CET - Markus Scheidgen: NOMAD ELN - ELN features integrated into NOMAD
12:00 & 18:00 CET- End of the 2nd day

Tutorial Chair: Sandor Brockhauser 

published 23.02.2022
Tutorial videos now available

You can find all videos and exercises of the first FAIRmat tutorial on Publishing and Exploring Data with NOMAD on our website and on our YouTube channel!

Website with exercises: https://www.fair-di.eu/fairmat-tutorials-1

YouTube playlist with videos of the overview talk by Matthias Scheffler and the hands-on tutorials by Markus Scheidgen:

 

published 11.02.2022
FAIRmat hands-on tutorials

On February 9, the brand new FAIRmat hands-on tutorial series begins!

Feb 9, 15:00 CET
Matthias Scheffler: Making the Data Revolution Happen – How Sharing and FAIRification Is Changing the Science Already Today 

15:45-18:00 CET
Markus Scheidgen: Publishing and Exploring Data with NOMAD: How-to and Exercises 

Feb 10, 10:00-12:00 and 16:00-18:00 CET
Markus Scheidgen: Questions and Answers

The tutorial series continues every second Wednesday of the month and the following Thursday.

More info here: https://www.fair-di.eu/fairmat-tutorials-home

published 07.02.2022
New publication

Our FAIRmat - NFDI4Cat collaboration was accepted for publication in ACSCatalysis. You can download the preprint of "Learning design rules for selective oxidation catalysts from high-throughput experimentation and artificial intelligence" here.

L. Foppa, C. Sutton, L. M. Ghiringhelli, S. De, P. Löser, S.A. Schunk, A. Schäfer, and M. Scheffler,
Learning design rules for selective oxidation catalysts from high-throughput experimentation and artificial intelligence
Preprint Download: chemrxiv

published 20.01.2022
New Nature Perspectives publication

In a newly accepted Nature Perspective article Matthias Scheffler and colleagues describe the challenges of establishing a FAIR (Findable, Accessible, Interoperable, and Re- usable) data infrastructure.

published 17.01.2022
FAIRmat hands-on tutorials

Hands-on FAIRmat Tutorials
Every second Wednesday of the month and the following Thursday
https://www.fair-di.eu/fairmat-tutorials-home

FAIRmat introduces its efforts towards a FAIR data infrastructure for condensed-matter physics and the chemical physics of solids in its new hands-on tutorial series. We will show how FAIRmat can help research work already today and how you will get prepared for the new scientific opportunities of tomorrow.

The tutorials consist of overview talks by internationally renowned scientists and hands-on tutorials by our FAIRmat developers.

We are looking forward to seeing you there!

published 13.01.2022
Study published in Nature Communications

Artificial-intelligence-driven discovery of catalyst “genes” with application to CO2 activation on semiconductor oxides

A. Mazheika, Y. Wang, R. Valero, F. Vines, F. Illas, L. Ghiringhelli, S. Levchenko, and M. Scheffler of the NOMAD Laboratory of the Fritz Haber Institute developed and advanced artificial intelligence methods that enable the identification of basic materials parameters that correlate with materials properties and functions of interest (here the activation of CO2).

published 03.01.2022
8 Million Euro Grant from the Novo Nordisk Foundation

Kristian Thygesen (WPs 4, 5 & 9), is part of a team at the Technical University of Denmark (DTU) that has just received an 8 million EURO (60 million DKK) grant from the Novo Nordisk Foundation. The BIO-MAG project focuses on developing new materials for highly sensitive magnetic field sensors for neuroimaging. Kristian leads the theoretical activities of the project, which is funded over six years starting January 2022.

Kristian is part of a team led by Nini Pryds (Department of Energy Conversion and Storage at DTU) that will develop 2D materials for two novel sensing technologies that can capture images of the brain at room temperature with tremendous sensitivity and spatial resolution. This will allow nervous system disorders to be detected and treated much earlier. The goal is to allow general practitioners to use the technology and perform imaging directly in their practices. The technology under development could become an alternative to expensive magnetic resonance imaging (MRI), which is usually only available in hospitals.

The goal of the Novo Nordisk Foundation Challenge Program is to support excellent researchers in addressing major societal challenges in the fields of health, sustainability or biotechnology.

published 15.12.2021
We are hiring!

FAIRmat is looking for a Public Relations / Communication Expert and Assistant! Find all information here: https://nomad-lab.eu/career

published 14.12.2021
New Website for the NOMAD AI-Toolkit

The web service of the NOMAD Artificial-Intelligence (AI) Toolkit has been upgraded in its functionality and its look-and-feel. 

published 22.11.2021
Max Born Prize awarded to Claudia Felser

Congratulations to our FAIRmat Area A Leader Claudia Felser, Director at the Max Planck Institute for Chemical Physics of Solids in Dresden. She is awarded the Max Born Prize 2022 for her seminal contributions to the fields of magnetic an chiral topology, in prediction, single crystal growth, and experimental observations.

The Max Born Prize is awarded jointly by the British Institute of Physics (IOP) and the German Physical Society (DPG) in memory of Max Born's work in Great Britain and Germany for particularly valuable and current scientific contributions to physics. It is awarded annually, alternately to a physicist living and working in Germany and Great Britain.

Read the article here: https://www.dpg-physik.de/auszeichnungen/dpg-preise-mit-anderen-organisationen/max-born-preis-und-medaille/preistraeger?set_language=en

published 19.11.2021
FAIR-DI - FAIRmat colloquium

After a great start of our colloquium series (watch the talk by Barend Mons here: https://youtu.be/N4CBAqKQmQs), our next colloquium will take place on December 2 at 10:15 CET. 

Christoph T. Koch will talk about Ingredients for Effective Computer-augmented Experimental Materials Science.

We are very much looking forward to her talk since it will set the stage for fruitful discussions in many sessions. So come ready to ask questions!

https://www.fair-di.eu/fairdi-colloqium-home

published 17.11.2021
Plenary talk of Matthias Schefffler at the 9th International Symposium on Surface Science (ISSS9)

Toward Sustainable Development

Matthias Scheffler (NOMAD CoE coordinator) gave a plenary talk titled "Artificial Intelligence for Surface Science and Heterogeneous Catalysis: Learning Rules and Creating Maps of Materials Properties" at the ISSS9 virtual conference (Nov. 28 - Dec. 01, 2021). The meeting was organized by the Japan Society of Vacuum and Surface Science (JVSS) and highlights recent achievements in surface science and its related fields. ISSS9 was originally planned as a face-to-face conference but had to be changed to an online format due to the pandemic.

published 08.11.2021
Talk by E. Olivetti postponed

Elsa Olivetti's talk about Text and Data Mining for Materials Development will be postponed to spring 2022. Originally, the talk was to take place on November 4, 2021, as part of the second FAIR-DI - FAIRmat colloquium. 

The next colloquium with Christoph Koch from Humboldt-Universität zu Berlin will be held as a hybrid event on December 02 at 10:15 CET.

We are very much looking forward to his talk since it will set the stage for fruitful discussions in many sessions. So come ready to ask questions! In case you missed it, you can watch the talk by Barend Mons on How to materialise FAIR here: https://www.fair-di.eu/fairdi-colloqium-videos

published 04.11.2021
FAIR-DI - FAIRmat colloquium

After a great start of our colloquium series (watch the talk by Barend Mons here: https://youtu.be/N4CBAqKQmQs), our next colloquium will take place on November 4 at 10:15 CET. 

Elsa Olivetti from the Massachusetts Institute of Technology will talk about Text and Data Mining for Materials Development.

We are very much looking forward to her talk since it will set the stage for fruitful discussions in many sessions. So come ready to ask questions!

https://www.fair-di.eu/fairdi-colloqium-home

published 25.10.2021
FAIR-DI - FAIRmat colloquium

We are excited to have leading FAIR data specialist Barend Mons as our first speaker at the FAIR-DI - FAIRmat Colloquium on October 7!

Barend Mons is the Scientific Director of the GO FAIR Foundation, President of CODATA, and key person behind the renowned paper The FAIR Guiding Principles for Scientific Data Management and Stewardship. He will talk about "How to materialise FAIR". 

Registration required: https://www.fair-di.eu/fairdi-colloqium-home

published 17.09.2021
We are hiring!

FAIRmat is seeking several highly qualified and motivated colleagues to join the consortium and the dynamic NOMAD team towards shaping the future of materials science! We are looking for

Scientific Software Developers, 
IT-affine Materials Scientists, 
Administrative and Scientific Team Leaders,
a Scientific Project Manager, 
and a Project Assistant
Apply here: https://nomad-lab.eu/career/nomad-hub

Let's build a FAIR infrastructure together!

published 01.07.2021
FAIRmat is being funded!

We made it! Today, the Joint Science Conference (GWK) announced its final funding decision about the National Research Data Infrastructure Program: FAIRmat is being funded as an NFDI consortium! A total of 10 consortia were chosen this year. You can read the official press release here: https://www.gwk-bonn.de/presseaktuelles/pressemitteilungen.

This success would not have been possible without your motivation and commitment, and we would like to thank all of you very much for that! It is great to know that a large community is behind the FAIRmat idea.

We are now looking forward to getting down to work with full vigour. As a first important step, we are now in the process of expanding the FAIRmat team with experts from different fields. Please, forward these job advertisements to potential candidates and colleagues: https://nomad-lab.eu/career/nomad-hub.

Let's build up a FAIR data infrastructure together!

published 01.07.2021
NOMAD PI appointed as Villum Investigator

NOMAD PI Kristian Sommer Thygesen appointed as Villum Investigator

The Danish VILLUM Foundation has appointed NOMAD PI Kristian Sommer Thygesen as Villum Investigator with a grant of 30 Mio DDK (4 Mio Euro) for the project “Data-Driven Discovery of Functionalized 2D Materials”.

published 19.04.2021
Work by NOMAD CoE researchers published in MRS Bulletin

A tailored AI Approach for Heterogeneous Catalysis

NOMAD CoE researchers Lucas Foppa, Luca M. Ghiringhelli, Matthias Scheffler and other colleagues have developed a customized artificial intelligence approach for modeling of heterogeneous catalysis. This method takes into account the key physicochemical parameters that are correlated with catalytic performance to accelerate the discovery of improved or novel materials. The study was published in the prestigious high-ranking journal MRS Bulletin in November 2021.

published 11.01.2021