CORDIS Project
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This project focuses on advancing the modeling of molecular behavior in complex environments, including interactions in nanostructures and disordered crystals. It aims to develop new quantum-mechanical approaches that enhance the accuracy and efficiency of simulations for large molecular systems, potentially transformi…
We propose focused theory developments and applications, which aim to substantially advance our ability to model and understand the behavior of molecules in complex environments.
From a large repertoire of possible environments, we have chosen to concentrate on experimentally-relevant situations, including molecular fluctuations in electric and optical fields, disordered molecular crystals, solvated (bio)molecules, and molecular interactions at/through low-dimensional nanostructures. A challengi…
UNIVERSITE DU LUXEMBOURG
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