Computational chemistry stands at the crossroads of chemistry and physics, offering a window into the atomic-scale behavior of molecules, their assemblies, and their transformations through reactions, dynamics, and light–matter interactions.

Recent advances in hardware and software have revolutionized our ability to model, simulate, and visualize chemical phenomena, from IR and UV spectra to complex reaction mechanisms. Yet, limited training in specialized tools still hinders broader adoption, highlighting the need for more accessible and interactive learning environments.

Jupyter Notebooks, integrated with platforms such as VeloxChem, create an intuitive and engaging space for exploring molecular behavior interactively. Participants gain hands-on experience visualizing electronic transitions, conformational dynamics, and other key processes as they unfold.

• Combining theory with intensive practice, participants progress step by step under direct expert guidance — learning not only how to use advanced tools, but why they work.

• Beyond traditional lectures, this immersive approach encourages participants to experiment interactively, ask real-time questions, and collaborate with peers facing similar challenges.

• By bringing together researchers from diverse disciplines, the program sparks interdisciplinary dialogue, strengthens computational skills, and builds a community ready to advance molecular science.