Assessing Chiral Induced Spin Selectivity (CISS) Effect for Quantum Computing Applications

Transport via quantum tunneling through organic molecules has an unexpectedly high efficiency in biological systems due to a lack of backscattering, making it an area of interest for developing new information technology applications. Biological chiral molecules have been experimentally demonstrated to produce spin-filtering in transmitted electrons. The spin-filtering properties of chiral molecules can be used to prepare electronic spins at room temperature, while the coherent transport properties can be used to facilitate room temperature qubit preparation and transport. Chiral molecular junctions have the potential to act as interconnects between nuclear spin nodes at the nanoscale, but the coherence of the electron transmission has not been verified. In this work, computational approaches to simulate electron transport in a simple chiral carbon wire are described. Electron transport is characterized by assessing the phase shift of the spin density matrix, obtaining the transmission function of the tunneling, and by obtaining the band structure of the topological material. The suitability of chiral interconnects for quantum computing applications is determined.