Foundational Machine Learning Potentials - Challenges and Opportunities
Graph neural network interatomic potentials have emerged as powerful tools for accelerating materials simulation and property prediction.
The latest generation of models approach about ab initio accuracy while maintaining linear scaling of compute cost with system size, promising high quality molecular dynamics at unprecedented time and length scales.
For more information and to register for the event, click here.
In this workshop, we would like to give you an introduction to FAIR data management and point out the problems present in laboratories that use optical spectroscopy methods such as ellipsometry, Raman spectroscopy, photoluminescence, reflection & transmission spectroscopy. We want to present our approach to map FAIR data as well with examples. We invite you to contribute so that you as well can use these structures as various optical spectroscopy methods have different requirements. We want to use the feedback from discussions to finalize the minimal needs and maximal capabilities, to define a standard, which is used as the base class for all the different spectroscopy methods.
The entire FAIRmat team has an internal project meeting twice yearly to discuss progress and upcoming tasks in all seven areas. Our first Project Meeting in 2024 will take place in June at our headquarters in Berlin.
We are pleased to announce the fourth FAIRmat Users Meeting, which will take place on June 13-14, 2024 at the Friedrich-Alexander-Universität Erlangen-Nürnberg (FAU) in Erlangen and online. All scientists in the field of physics and chemistry of condensed matter are invited to this public workshop about Research Data Management (RDM) concepts and solutions. The program includes talks by RDM experts and researchers who use the NOMAD data infrastructure to manage their research data. It also comprises a series of mini-workshops on RDM best practices and the solutions developed by FAIRmat. We have identified five focus topics that will be presented in consecutive workshops:
- RDM design for collaborative research centers
- Getting started with NOMAD and NOMAD Oasis
- NOMAD Oasis for advanced users
- Data literacy in the physics curriculum
- NOMAD CAMELS as an efficient tool for RDM-compliant experiments
They are designed for all levels of users, from beginners to advanced, and include lectures, hands-on exercises, and user experience reports.
The 18th International Congress on Catalysis will be held in Lyon, France, from July 14-19, 2024. As digitization has far-reaching implications for methodologies and workflows, also in catalysis research, a symposium will be dedicated to this topic and the need for FAIR data.
It will provide an opportunity to discuss the potential of digitalization in catalysis in all its aspects, including standardization of catalysis data, data sharing and curation, catalysis informatics, community-driven infrastructure, and digital research. The aim is to show a viable path for a digital transition for the community, both from an experimental and a theoretical perspective.
Welcome to the FAIR-DI European Conference on Data Intelligence! The conference will take place in Karlsruhe, Germany, on October 27 - 30, 2024.
