Join us for the LLM Hackathon in Materials and Chemistry in Berlin!
We are excited to host the onsite segment of the LLM Hackathon for Applications in Materials and Chemistry in Berlin. The event will take place at the Center for the Science of Materials Berlin (CSMB) from 6 to 8 May. (There will be an optional online continuation on 9 May to follow the global event).
The event aims to explore and demonstrate innovative applications of large language models in materials science.
Event highlights:
- An introductory talk on the potential of LLMs in materials science.
- Access to GPUs via our intranet for faster computational tasks.
- A wide range of projects to get involved in.
- And, of course, lots of pizza!
Places are limited, so do not miss out! Register now to secure your place at the onsite LLM Hackathon in Berlin.
This onsite event is part of the wider LLM Hackathon for Applications in Materials and Chemistry. You should also register for the global event.
We look forward to seeing you!
Geometric Density Functional Theory
Geometric Density Functional Theory is an attempt to directly compute the universal energy functional and its (functional) derivatives from the solution of an optimization problem in which the electronic density is kept constant. The process can be described as "finding the ground-state of an electron gas of prescribed density". In this approach the target density is established and maintained through a geometric deformation of the original coordinates.
For more information and to register for the event, click here.
FAIRmat Tutorial 13, presented by FAIRmat Area A Synthesis, introduces NOMAD and NOMAD Oasis as essential tools for research data management (RDM). This tutorial will specifically demonstrate how to utilize these tools for managing experimental materials science data, with a particular focus on synthesis data.
Participants will learn about NOMAD's versatile data model, which ensures data interoperability, and its various types and levels of schemas, including custom yaml schemas, community standards, plugins, and BaseSections. The tutorial will also cover the integration of NOMAD with Electronic Lab Notebooks (ELNs) to enhance data documentation and management.
A practical session will guide users through a typical synthesis data example, demonstrating how to start from NOMAD's built-in ELNs, develop a data schema, convert it into a NOMAD plugin for automated data processing, and deploy the schema on a local NOMAD Oasis. This hands-on approach will provide invaluable insights into customizing NOMAD to fit specific experimental workflows.
The session is designed to serve various user groups, including standard users, data stewards & data scientists, and system administrators, ensuring that each participant gains a comprehensive understanding of the tool's capabilities and applications in their respective roles. Join us to explore how NOMAD can transform your approach to data management in experimental synthesis, leading to more efficient and coherent research outputs - FAIR principles in practice.
Register here!
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 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.