Structural distortions in molecular-based quantum cellular automata: a minimal model based study

Alejandro Santana Bonilla; Rafael Gutierrez; Leonardo Medrano Sandonas; Daijiro Nozaki; Alessandro Paolo Bramanti; Gianaurelio Cuniberti

doi:10.1039/c4cp02458c

Structural distortions in molecular-based quantum cellular automata: a minimal model based study

Physical Chemistry Chemical Physics ◽

10.1039/c4cp02458c ◽

2014 ◽

Vol 16 (33) ◽

pp. 17777-17785 ◽

Cited By ~ 5

Author(s):

Alejandro Santana Bonilla ◽

Rafael Gutierrez ◽

Leonardo Medrano Sandonas ◽

Daijiro Nozaki ◽

Alessandro Paolo Bramanti ◽

...

Keyword(s):

Cellular Automata ◽

Minimal Model ◽

Nearest Neighbor ◽

Cell Interactions ◽

Quantum Cellular Automata ◽

Structural Distortions ◽

Molecular Charge ◽

Binary Information ◽

A Cell ◽

Charge Configuration

Molecular-based quantum cellular automata (m-QCA) 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. Structural distortions of the cells may have however a sensitive influence on the m-QCA response and thus, potentially alter its functionality.

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Self-trapping of charge polarized states in four-dot molecular quantum cellular automata: bi-electronic tetrameric mixed-valence species

Pure and Applied Chemistry ◽

10.1515/pac-2014-0904 ◽

2015 ◽

Vol 87 (3) ◽

pp. 271-282 ◽

Cited By ~ 19

Author(s):

Boris Tsukerblat ◽

Andrew Palii ◽

Juan Modesto Clemente-Juan

Keyword(s):

Cellular Automata ◽

Mixed Valence ◽

Coulomb Repulsion ◽

Triplet States ◽

Quantum Cellular Automata ◽

Spin Singlet ◽

Self Trapping ◽

Binary Information ◽

Spin Triplet ◽

Electron Transfer Processes

AbstractOur interest in this article is prompted by the problem of the vibronic self-trapping of charge polarized states in the four-dot molecular quantum cellular automata (mQCA), a paradigm for nanoelectronics, in which binary information is encoded in charge configuration of the mQCA cell. We report the evaluation of the electronic states and the adiabatic potentials of mixed-valence (MV) systems in which two electrons (or holes) are shared among four sites. These systems are exemplified by the two kinds of tetra–ruthenium (2Ru(II)+ 2Ru(III)) clusters (assembled as two coupled Creutz–Taube dimers) for which molecular implementation of mQCA was proposed. The tetra–ruthenium clusters include two holes shared among four sites and correspondingly we employ the model which takes into account the electron transfer processes as well as the Coulomb repulsion in the different instant positions of localization. The vibronic self-trapping is considered within the conventional vibronic Piepho, Krausz and Schatz (PKS) model adapted to the bi-electronic MV species with the square topology. This leads to a complicated vibronic problems (21A1g + 1B1g + 1B2g + 1Eu) ⊗ (b1g + eu) and (3A2g + 3B1g + 23Eu) ⊗ (b1g + eu) for spin-singlet and spin-triplet states correspondingly. The adiabatic potentials are evaluated with account for the low lying Coulomb levels in which the antipodal sites are occupied, the case just actual for utilization in mQCA. The conditions for the vibronic localization in spin-singlet and spin-triplet states are revealed in terms of the two actual transfer pathways parameters and strength of the vibronic coupling.

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A Quantum Cellular Automata Type Architecture with Quantum Teleportation for Quantum Computing

Entropy ◽

10.3390/e21121235 ◽

2019 ◽

Vol 21 (12) ◽

pp. 1235

Author(s):

Dimitrios Ntalaperas ◽

Konstantinos Giannakis ◽

Nikos Konofaos

Keyword(s):

Fourier Transform ◽

Cellular Automata ◽

Quantum Teleportation ◽

Nearest Neighbor ◽

Input Pulse ◽

Quantum Gate ◽

Quantum Cellular Automata ◽

Quantum Fourier Transform ◽

Single Qubit ◽

Qubit Operations

We propose an architecture based on Quantum Cellular Automata which allows the use of only one type of quantum gate per computational step, using nearest neighbor interactions. The model is built in partial steps, each one of them analyzed using nearest neighbor interactions, starting with single-qubit operations and continuing with two-qubit ones. A demonstration of the model is given, by analyzing how the techniques can be used to design a circuit implementing the Quantum Fourier Transform. Since the model uses only one type of quantum gate at each phase of the computation, physical implementation can be easier since at each step only one kind of input pulse needs to be applied to the apparatus.

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