When Code Meets Quantum: how Students from the Berliner Hochschule für Technik Helped Redesign a Research Tool

What happens when you pair sharp programming minds with complex quantum chemistry challenges? At the Fritz Haber Institute (FHI), that mix just produced something exciting: an interactive visualization platform that helps scientists see and manage how they improve simulations of electronic properties of materials.

Following its successful launch in 2024, our Institute is pleased to announce the continuation of its collaboration with the students from the Berlin University of Applied Sciences (BHT).

Together with Chiara Panosetti and Artem Samtsevych, group leader and postdoc in the Theory Department of our Institute, and supported by BHT guest lecturer Heinz Junkes, the students developed an interactive web platform that streamlines simulation setup, enhances visualization of electronic properties of material, and makes interpreting results much easier—greatly boosting both usability and analytical power.

The new platform helps scientists dig deeper into the details of electronic band structure optimization. Every material—like metal, silicon, or a battery material—has a unique electronic band structure. Think of it as a map that shows how electrons behave inside the material: how fast they can move, how much energy they need to jump between levels, and whether the material conducts electricity, insulates, or does something in between. 

Key features: 
 

• Build Decoding Masks in seconds: matrixes that tell you which parts of a material's band structure to focus on.
• Interactive visualizations of materials structure.
• Comprehensive tools for interpreting simulation results.
• Secure login, a sleek new interface, and an admin dashboard.

These improvements make the platform more accessible to theorists, developers, and data scientists alike. For the BHT students involved, this project was more than just an academic exercise. It was a deep dive into applied research with tangible results.

The students say:

“It was great working with the Fritz Haber Institute. The topic was completely new to us, which made the project even more interesting. Whenever we had questions, the team was always ready to help. A special thanks to Chiara and Artem, who met with us regularly and gave clear feedback on what was missing and what could be improved. We learned a lot and applied what we had studied at BHT, creating an interdisciplinary mix that worked really well. We are proud to see the platform now being used at the institute and beyond.”