title: Structural distortions in molecular-based quantum cellular automata: a minimal model based study.
abstract: Molecular-based quantum cellular automata (m-QCA), as an extension of quantum-dot QCAs, offer a novel alternative in which binary information can be encoded in the molecular charge configuration of a cell and propagated via nearest-neighbor Coulombic cell-cell interactions. Appropriate functionality of m-QCAs involves a complex relationship between quantum mechanical effects, such as electron transfer processes within the molecular building blocks, and electrostatic interactions between cells. The influence of structural distortions of single m-QCA are addressed in this paper within a minimal model using an diabatic-to-adiabatic transformation. We show that even small changes of the classical square geometry between driver and target cells, such as those induced by distance variations or shape distortions, can make cells respond to interactions in a far less symmetric fashion, modifying and potentially impairing the expected computational behavior of the m-QCA.
authors.affiliation: Institute for Materials Science and Max Bergmann Center of Biomaterials, Dresden University of Technology, 01062 Dresden, Germany. rafael.gutierrez@tu-dresden.de.
authors.forename: Alejandro Santana
authors.initials: AS
authors.lastname: Bonilla
authors.forename: Rafael
authors.initials: R
authors.lastname: Gutierrez
authors.forename: Leonardo Medrano
authors.initials: LM
authors.lastname: Sandonas
authors.forename: Daijiro
authors.initials: D
authors.lastname: Nozaki
authors.forename: Alessandro Paolo
authors.initials: AP
authors.lastname: Bramanti
authors.forename: Gianaurelio
authors.initials: G
authors.lastname: Cuniberti
mesh_terms: D003198:Computer Simulation; D039301:Computers, Molecular; D016247:Information Storage and Retrieval / Q000379:methods*; D008956:Models, Chemical; D008958:Models, Molecular; D011789:Quantum Theory