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GEMS aims to advance molecular spectroscopy by providing theoretical and computational tools for studying molecules in complex nanostructured environments. The project focuses on interactions with metal nanoparticles and graphene to enhance spectroscopic signals.
Recently, there has been a paradigmatic shift in experimental molecular spectroscopy, with new methods focusing on the study of molecules embedded within complex supramolecular/nanostructured aggregates.
In the past, molecular spectroscopy has benefitted from the synergistic developments of accurate and cost-effective computational protocols for the simulation of a wide variety of spectroscopies.
These methods, however, have been limited to isolated molecules or systems in solution, therefore ar…
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