Hands-on Workshop on Electronic-Structure Theory and Artificial Intelligence for Materials Science

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Scope of the workshop

This in-person workshop and hands-on school will cover the basics and advanced concepts of first-principles electronic-structure methods and artificial intelligence for materials science. In order to provide good supervision and training, the number of participants will be limited to 60. The Hands-On Workshop consists of a conference with keynote talks by renowned speakers in the morning and tutorial sessions in the afternoon for hands-on experience with the all-electron electronic structure code FHI-aims. The tutorial sessions are especially tailored towards early-career researchers and students at the Ph.D. level.

Overview

Fundamental and Advanced Topics: We cover fundamental and advanced topics in materials science and chemistry, based on all-electron electronic-structure simulations: Density-functional theory and many-body approaches for excited states, advanced exchange-correlation functionals, statistical mechanics, and artificial intelligence models for materials science.

Lectures will be given by expert speakers from our field, which will focus on fundamental concepts. A list of confirmed speakers and their topics can be found here.

Hands-on Tutorials: Practical hands-on tutorials will serve to solidify the theories presented in the lectures by showcasing their real-world applications, with a special focus on the FHI-aims software package. In these sessions, participants will actively engage with electronic-structure theory and state-of-the-art artificial intelligence tools, providing them with the opportunity to directly apply and experiment with the taught principles. More details can be found here.  

Conference Fee

The conference fee includes conference costs, meals during the workshop, an external group dinner, and a poster party combined with a group get-together. For options 2 and 3 (see below), breakfast is also included together with the hotel booking.

The total conference fee amounts to:

• Option 1: No accommodation, Nov 5 - 8, 2025 = 150 €
• Option 2: Including accommodation (hotel check-in Nov 4, check-out Nov 8), Nov 5 - 8, 2025 = 550 €
• Option 3: NOMAD@FHI - SHU CDZ-collaboration, workshop preparations, and workshop/school (hotel check-in Nov 1, check-out Nov 8), Nov 1 - 8, 2025 = 1,100 €

Important dates