Welcome to the FAIRmat seminar!
In the FAIRmat seminar series, prominent researchers and group leaders are invited to share recent developments on the topics of FAIR research data management practices, big data, and machine learning/artificial intelligence applications in the fields of condensed-matter physics and materials science.
The FAIRmat seminar is a hybrid event, taking place at the Center for the Science of Materials Berlin (CSMB) and online. The talks are recorded and are available after the event on our Youtube channel.
Materials Design Using Chemical Heuristics, Workflows, and Machine Learning
The lecture explores how bonding and local atomic environments serve as key descriptors in materials design and machine learning. Dr. Janine George will present tools like ChemEnv and LobsterEnv that enable automated bonding analysis and help develop new machine-learning models and intuitive understandings of material properties. The talk will highlight advances in machine-learned potentials such as MACE-MP-0, their integration with DFT, and the broader trend toward automation in computational materials science.
You can attend the seminar in person at the Center for the Science of Materials Berlin or participate online. Online participation requires registration.
The Engineering of Research by Horizontal and Vertical Integration
Prof. Helge Stein presents Materials Acceleration Platforms (MAPs) as a transformative approach to accelerating materials discovery, particularly in battery research and catalysis. By integrating combinatorial synthesis, high-throughput characterization, automation, and machine learning, MAPs unify diverse methods (experimentation, simulations, and data analytics) and connect material design to application. The FINALES framework enables decentralized control over distributed experiments, while HELAO advances lab automation and data management. These innovations drive faster scientific progress, optimizing materials and processes to tackle global challenges.
Join us for this engaging discussion in person at the Center for the Science of Materials Berlin or online. Registration is required for online participation.
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.
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.
Join us for the FAIRmat seminar on September 28, 2023 at 11:00, in IRIS Adlershof (Berlin) and online, with speaker Brian Richard Pauw (Bundesanstalt für Materialforschung und -prüfung).
Join us for the FAIRmat seminar on September 15, 2023 at 11:00, in IRIS Adlershof (Berlin) and online, with speaker Kevin Jablonka (Helmholtz Institute for Polymers in Energy Applications of the University of Jena and Helmholtz Center Berlin).
You are invited to join us for the FAIRmat seminar on July 28, 2023 at 11:00, in Berlin-Adlershof and online. Maia G. Vergniory (Max Planck Institute for the Chemical Physics of Solids, Dresden) will give the talk High-throughput search of topological materials and meta-materials.
Thomas Schäfer of the Max-Planck Institute for Solid State Research will speak about Multi-method, multi-messenger approaches to models of strong correlations in a special FAIRmat seminar in Berlin-Adlershof.
