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9th Leibniz MMS Days
March 2 - 4, 2026
Frankfurt (Oder)

Focus topic
Computational Material Science

Computational material science covers both finding new materials with tailored properties and controlling the processes to produce such materials. Thus, the applied methods vary from atomistic calculations to multi-physics continuum simulations. On both levels machine learning and articifial intelligence have been introduced and further developed to accelerate either the the search for appropriate materials or to enhance the optimization of the processes for material production.

The session invites researchers in the different fields of material science to present the variety in the mathematical and numerical approaches. We like to highlight the challenges for efficient computation and modern concepts for data structures. This includes

• mathematical modeling,
• computational methods,
• software,
• simulation.

The intended fields cover in particular solid state physics, computational physics, physical chemistry, smart and functional materials, functional surfaces and thin films, nanostructures, quantum materials but also photonics, device physics, opto-electronics, electro-chemistry, photochemical processes and soft matter physics.