Materials Development with Quantum Chemistry: Catalysts and OLEDs

Quantum chemical calculations are an established tool in BASF's research today. The computational methods support the chemists in elucidating reaction mechanisms, in choosing good solvents or in optimizing catalysts. Materials with new properties can be pre-selected on the computer, before time-consuming and expensive synthesis is started. In my talk this will be exemplified with two example applications out of BASF research.

Peptide Self-Assembly: From Pathological Amyloid to Engineered Biomaterials

Peptide Self-Assembly: Pathological Amyloid to Engineered Biomaterials The self-assembly of peptides and proteins into cross-β amyloid structures is a defining characteristic of amyloid pathologies including Alzheimers disease, Parkinsons disease, type 2 diabetes, and prion encephalopathies. Amyloid protein assemblies are not limited to pathological conditions, but also exist as evolutionarily conserved motifs with defined biological function.

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