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Nano device modelling

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We are studying the properties of carbon nanotube (CNT) biosensors using numerical simulation. The research is focusing on the electronic transport through CNTs that are exposed to various amino acids and short peptides. Using a combination of molecular dynamics, density functional theory, and quantum transport calculations we are able to predict how the adsorption of these peptides affects the transport through the tubes.
Molecular Quantum Cellular Automata (QCA), is an exploratory computing paradigm in which information is encoded in the electronic charge configuration of a QCA cell (built from one or two individual molecules). The charge interaction between neighbouring cells enables the transmission and processing of information. Our research focus is on the design and simulation of QCA using numerical tools such as the QCADesigner tool developed in our lab.
QCA processor designed using QCADesigner