FAIRmat Hackathon - FAIR Data Management of Spectroscopy Simulations

Sep 4, 2024, 12:00 PM → Sep 6, 2024, 3:00 PM Europe/Berlin

Center for the Science of Materials Berlin (CSMB)

We are excited to announce a dynamic event in Berlin: a three-day Hackathon focused on Materials Science simulations for methodologies going beyond DFT, taking place on September 4 - 6, 2024. This event provides a unique opportunity for researchers, students, and postdocs to delve into FAIR data management for their simulation codes, create tools for better management of inputs and outputs, and collaborate on improving the current data standard in a friendly environment.

 

Why participate?

• Overview of a very complex topic: Introductory talks in a variety of methods which go beyond DFT simulations: GW, TDDFT, BSE, DMFT, KKR, and electron-phonon coupling methodologies.
• Hands-on experience: Guidance from experts to create your own parsers or tools for your favorite simulation code, modify and adapt the data standard, and publish your work with the best practices in Data Management and Software Development.
• Collaborative environment: A lot of potential networking for future projects on databases, automation, high-throughput, machine-learning, etc.
• Publication opportunity: A future joint publication on a common data standard for these methodologies.

 

Places are limited, so do not miss this opportunity to be at the forefront of Materials Science and Data Management. We look forward to your participation in this exciting event!

 

Join us in Discord to follow up on the latest updates and connect with other participants. If you are not a member of our Discord server by now, please create an account and join via this invitation link. Once you have an account, join the hackathon channel here.

Documentation page

Speaker´s slides

Wednesday, September 4

12:00 PM → 12:30 PM Lunch

12:30 PM → 2:50 PM Talks: Talks I

12:30 PM Talk by Claudia Draxl about FAIRmat and NOMAD

12:50 PM Talk by Dorothea Golze about GW

1:30 PM Talk by Silvana Botti about TDDFT

2:10 PM Talk by Francesco Sottile about BSE

2:50 PM → 3:20 PM Coffee break

3:20 PM → 5:40 PM Talks: Talks II

3:20 PM Talk by Giorgio Sangiovanni about DMFT

4:00 PM Talk by Darya Gorelova about excitations dynamics

4:20 PM Talk by Jan Minar about KKR

5:00 PM Talk by Matthieu Verstraete about el-ph coupling

Thursday, September 5

9:00 AM → 10:00 AM Introduction to NOMAD simulations schemas and parsers by Jose Pizarro

10:00 AM → 12:00 PM FAIRmat Hackathon - FAIR Data Management of Spectroscopic Simulations

There will be breaks and lunch in between.

12:00 PM → 12:30 PM Lunch

12:30 PM → 5:40 PM FAIRmat Hackathon - FAIR Data Management of Spectroscopic Simulations

There will be breaks and lunch in between.

Friday, September 6

9:00 AM → 12:00 PM FAIRmat Hackathon - FAIR Data Management of Spectroscopic Simulations

There will be breaks and lunch in between.

12:00 PM → 12:30 PM Lunch

12:30 PM → 1:10 PM Presentations of the work done during the hackathon