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EPJ Quantum Technology

Molecular topological quantum computer

Sheh‐Yi Sheu, Hua-Yi Hsu, Tzu-Hsuan Yang, Jin-Pei Deng, Dah‐Yen Yang

Published Jun 6, 2025• 0 citations
Publisher

Abstract

Biomolecular residue pairs have been utilized in constructing quantum logic gates (QLGs), significantly reducing the hardware size to the subnanoscale level. However, the development of molecular fault-tolerant topological quantum computers (TQCs) presents challenges in error reduction and hardware size minimization. This study presents the manipulation of molecular QLGs (MQLGs) by utilizing protein residue pairs as molecular transistors, enabling the construction of molecular topological QLGs. This innovative approach leverages molecular functionality in quantum computer (QC) designs to build sub-nanometer transistors that significantly reduce size, enhance efficiency, and accelerate computing. The transmission spectra of electron transfer in molecular junction systems were analyzed using the non-equilibrium Green’s function method. The molecular field effect led to the observation of four quantum states on a two-dimensional potential energy surface with two degrees of freedom—proton translation and molecular rotation. These states form a quaternary QLG, similar to a 2-qubit controlled-NOT logic gate. By applying the Kitaev honeycomb lattice model, MQLGs were employed to generate nonabelian anyons that adhere to fusion rules, such as Ising and Fibonacci anyons. Furthermore, quantum circuits incorporating nonabelian anyons and their fusion processes were developed for practical applications. These findings underscore the shift away from conventional atom-based silicon technology and highlight the potential for innovative applications of molecular universal QLGs, particularly in the advancement of sub-nanometer molecular fault-tolerance TQCs.

DOI
10.1140/epjqt/s40507-025-00375-w

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Biomolecular residue pairs have been utilized in constructing quantum logic gates (QLGs), significantly reducing the hardware size to the subnanoscale level. However, the development of molecular fault-tolerant topological quantum computers (TQCs) presents challenges in error reduction and hardware size minimization. This study presents the manipulation of molecular QLGs (MQLGs) by utilizing protein residue pairs as molecular transistors, enabling the construction of molecular topological QLGs. This innovative approach leverages molecular functionality in quantum computer (QC) designs to build sub-nanometer transistors that significantly reduce size, enhance efficiency, and accelerate computing. The transmission spectra of electron transfer in molecular junction systems were analyzed using the non-equilibrium Green’s function method. The molecular field effect led to the observation of four quantum states on a two-dimensional potential energy surface with two degrees of freedom—proton translation and molecular rotation. These states form a quaternary QLG, similar to a 2-qubit controlled-NOT logic gate. By applying the Kitaev honeycomb lattice model, MQLGs were employed to generate nonabelian anyons that adhere to fusion rules, such as Ising and Fibonacci anyons. Furthermore, quantum circuits incorporating nonabelian anyons and their fusion processes were developed for practical applications. These findings underscore the shift away from conventional atom-based silicon technology and highlight the potential for innovative applications of molecular universal QLGs, particularly in the advancement of sub-nanometer molecular fault-tolerance TQCs.
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Abstract A quantum computer can perform exponentially faster than its classical counterpart. It works on the principle of superposition. But due to the decoherence effect, the superposition of a quantum state gets destroyed by the interaction with the environment. It is a real challenge to completely isolate a quantum system to make it free of decoherence. This problem can be circumvented by the use of topological quantum phases of matter. These phases have quasiparticles excitations called anyons. The anyons are charge-flux composites and show exotic fractional statistics. When the order of exchange matters, then the anyons are called non-abelian anyons. Majorana fermions in topological superconductors and quasiparticles in some quantum Hall states are non-abelian anyons. Such topological phases of matter have a ground state degeneracy. The fusion of two or more non-abelian anyons can result in a superposition of several anyons. The topological quantum gates are implemented by braiding and fusion of the non-abelian anyons. The fault-tolerance is achieved through the topological degrees of freedom of anyons. Such degrees of freedom are non-local, hence inaccessible to the local perturbations. In this paper, the Hilbert space for a topological qubit is discussed. The Ising and Fibonacci anyonic models for binary gates are briefly given. Ternary logic gates are more compact than their binary counterparts and naturally arise in a type of anyonic model called the metaplectic anyons. The mathematical model, for the fusion and braiding matrices of metaplectic anyons, is the quantum deformation of the recoupling theory. We proposed that the existing quantum ternary arithmetic gates can be realized by braiding and topological charge measurement of the metaplectic anyons.
Quantum computers offer a significant advantage in simulating quantum systems compared to classical computers for certain problems, although most current applications are limited to calculating static molecular properties using hybrid quantum-classical hardware. In this work, we establish a framework for the representation of quantum dynamics in molecular and condensed matter systems, designed for execution on topological quantum hardware. By leveraging the non-Abelian braiding statistics of Fibonacci and Ising anyons, we utilize the Solovay-Kitaev algorithm to approximate unitary propagators for a range of systems. We demonstrate the efficacy of these algorithms across a hierarchy of complexity, from two-level systems and one dimensional double-well potentials to condensed phase spin-boson models, simple molecules, and molecular reaction kinetics. These algorithms provide a scalable and robust pathway for simulating many-body condensed phase chemical physics on fault-tolerant quantum devices.
Quantum computers (QCs) adopt an n‐state quantum mechanical system to manipulate the superposition state. However, molecular transistors are not used to build up the quantum logic gate. Herein, it is demonstrated that DNA, RNA, and protein are promising media for QCs, and one uses residue pairs, including nucleotide base pairs and amino acid pairs, via proton‐coupled electron transfer to fabricate a quantum logic gate. In the residue pair, the proton transfer between donor and acceptor states fulfills a qubit. Both the DNA‐CG (3‐qubit) nucleobase pair and nucleotide base pair obey the Toffoli gate. AT (2‐qubit) nucleotide base pair behaves as a SWAP gate and a CNOT gate. Furthermore, the AU and RNA‐CG nucleotide base pairs follow the CNOT gate and Toffoli gate, respectively. In addition, a pair of amino acids achieves 1‐qubit and satisfies the Pauli‐X, ‐Y, and ‐Z gates. The generators of universal quantum logic gates are obtained.