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/.
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.
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.
Recordings of the FAIRmat tutorial on Experimental data management in NOMAD are now available on YouTube !
The YouTube playlist includes the following sessions:
- Introductory talk on the science case by Heiko Weber
- Metadata standardisation by Sandor Brockhauser
- Experiment: from planning to data collection by Michael Krieger, Johannes Lehmeyer and Alexander Fuchs
- Hands on tutorial on data sharing, visualisation and analysis in NOMAD by Sherjeel Shabih
- Q&A session
All information about the tutorial can be found on the tutorial event page.
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:
- Talk by Christoph T. Koch: The potential of digital encyclopedias in materials science
- Hands-on session with Lauri Himanen: Introduction to the NOMAD Encyclopedia
All information about the tutorial including slides & the link to the YouTube playlist can be found on the tutorial 5 page.
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.
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.
** 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.
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:
- Talk by Claudia Draxl: From Research Islands and Data Silos to a Powerful Data Infrastructure
- Talk by Markus Scheidgen: Adapting NOMAD Oasis to Your Research
- Hands-on session with Markus Scheidgen: Installing NOMAD, adding parsers, customizing data schemas, creating ELNs
All information about the tutorial including slides & the link to the YouTube playlist can be found on the tutorial event page.
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.
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:
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!
