CORDIS Project
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This project focuses on developing theoretical methods to study the transport properties and scanning tunneling microscopy (STM) of organic molecules on metal surfaces. It aims to enhance understanding of organic electronics and molecular qubits through advanced quantum chemistry techniques and simulations.
This project will develop new methods for the theoretical study of transport and STM experiments on organic molecules on metal surfaces.
We will bring together many-body methods of quantum chemistry (such as Complete Active Space or the Density Matrix Renormalization Group) with transport calculations and STM simulation.
Our target systems are organic and metal organic compounds that result from On-Surface Synthesis, such as metalated porphyrins and novel organic spin chains that extend previous…
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