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Simulation Group at ICN2 conducts cutting-edge research in computational materials science, focusing on electronic structure methods, atomistic simulations, and multiscale modelling. The group develops and
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, composition, and structural complexity. The group integrates Safe and Sustainable by Design (SSbD) and green chemistry principles from early development stages to guide responsible innovation across materials
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vivo administration approaches. To investigate 2D material complex structure - biophysical and biological function relationships, the project will include systematic studies at both the cellular
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