Variational Quantum Simulation for Periodic Materials

• URL: http://arxiv.org/abs/2008.09492v3
• Date: Tue, 15 Feb 2022 02:21:38 GMT
• Title: Variational Quantum Simulation for Periodic Materials
• Authors: Nobuyuki Yoshioka and Takeshi Sato and Yuya O. Nakagawa and Yu-ya Ohnishi and Wataru Mizukami
• Abstract summary: We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. Our work establishes a powerful interface between the rapidly developing quantum technology and modern material science.
• Score: 0.0
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. By extending the unitary coupled cluster (UCC) theory to describe crystals in arbitrary dimensions, for a hydrogen chain, we numerically demonstrate that the UCC ansatz implemented on a quantum circuit can be successfully optimized with a small deviation from the exact diagonalization over the entire range of the potential energy curves. Furthermore, by using the quantum subspace expansion method, in which we truncate the Hilbert space within the linear response regime from the ground state, the quasiparticle band structure is computed as charged excited states. Our work establishes a powerful interface between the rapidly developing quantum technology and modern material science.

Related papers

• Efficient Learning for Linear Properties of Bounded-Gate Quantum Circuits [63.733312560668274]
  Given a quantum circuit containing d tunable RZ gates and G-d Clifford gates, can a learner perform purely classical inference to efficiently predict its linear properties? We prove that the sample complexity scaling linearly in d is necessary and sufficient to achieve a small prediction error, while the corresponding computational complexity may scale exponentially in d. We devise a kernel-based learning model capable of trading off prediction error and computational complexity, transitioning from exponential to scaling in many practical settings.
  arXiv  Detail & Related papers  (2024-08-22T08:21:28Z)
• Analog Quantum Simulator of a Quantum Field Theory with Fermion-Spin Systems in Silicon [34.80375275076655]
  Mapping fermions to qubits is challenging in $2+1$ and higher spacetime dimensions. We propose a native fermion-(large-)spin analog quantum simulator by utilizing dopant arrays in silicon.
  arXiv  Detail & Related papers  (2024-07-03T18:00:52Z)
• A quantum eigenvalue solver based on tensor networks [0.0]
  Electronic ground states are of central importance in chemical simulations, but have remained beyond the reach of efficient classical algorithms. We introduce a hybrid quantum-classical eigenvalue solver that constructs a wavefunction ansatz from a linear combination of matrix product states in rotated orbital bases. This study suggests a promising new avenue for scaling up simulations of strongly correlated chemical systems on near-term quantum hardware.
  arXiv  Detail & Related papers  (2024-04-16T02:04:47Z)
• Simulating electronic structure on bosonic quantum computers [35.884125235274865]
  One of the most promising applications of quantum computing is the simulation of many-fermion problems. We show how an electronic structure Hamiltonian can be transformed into a system of qumodes through qubit-assisted fermion-to-qumode mapping.
  arXiv  Detail & Related papers  (2024-04-16T02:04:11Z)
• Non-adiabatic quantum dynamics with fermionic subspace-expansion algorithms on quantum computers [0.0]
  We introduce a novel computational framework for excited-states molecular quantum dynamics simulations. We calculate the required excited-state transition properties with different flavors of the quantum subspace expansion and quantum equation-of-motion algorithms. We show that only methods that can capture both weak and strong electron correlation effects can properly describe the non-adiabatic effects that tune the reactive event.
  arXiv  Detail & Related papers  (2024-02-23T15:09:19Z)
• A Floquet-Rydberg quantum simulator for confinement in $\mathbb{Z}_2$ gauge theories [44.99833362998488]
  Recent advances in the field of quantum technologies have opened up the road for the realization of small-scale quantum simulators. We present a scalable Floquet scheme for the quantum simulation of the real-time dynamics in a $mathbbZ$ LGT. We show that an observation of gauge-invariant confinement dynamics in the Floquet-Rydberg setup is at reach of current experimental techniques.
  arXiv  Detail & Related papers  (2023-11-28T13:01:24Z)
• Numerical Simulation of Large-Scale Nonlinear Open Quantum Mechanics [0.0]
  We introduce a numerical method to simulate nonlinear open quantum dynamics of a particle in situations where its state undergoes significant expansion in phase space. To demonstrate the capabilities of our method, we examine the open quantum dynamics of a particle evolving in a one-dimensional weak quartic potential after initially being ground-state cooled in a tight harmonic potential.
  arXiv  Detail & Related papers  (2023-06-15T12:26:35Z)
• Soliton Confinement in a Quantum Circuit [0.0]
  We analyze the confinement of sine-Gordon solitons into mesonic bound states in a one-dimensional quantum electronic circuit(QEC) array. The interactions occurring naturally in the QEC array, due to tunneling of Cooper-pairs and pairs of Cooper-pairs, give rise to a non-integrable, interacting, lattice model of quantum rotors.
  arXiv  Detail & Related papers  (2023-02-13T11:45:38Z)
• A self-consistent field approach for the variational quantum eigensolver: orbital optimization goes adaptive [52.77024349608834]
  We present a self consistent field approach (SCF) within the Adaptive Derivative-Assembled Problem-Assembled Ansatz Variational Eigensolver (ADAPTVQE) This framework is used for efficient quantum simulations of chemical systems on nearterm quantum computers.
  arXiv  Detail & Related papers  (2022-12-21T23:15:17Z)
• Momentum-Space Unitary Coupled Cluster and Translational Quantum Subspace Expansion for Periodic Systems on Quantum Computers [0.0]
  We demonstrate the use of the Variational Quantum Eigensolver (VQE) to simulate solid state crystalline materials. We map complex cluster operators to a quantum circuit ansatz to take advantage of the reduced number of excitation operators and Hamiltonian terms. We also demonstrate an extension of the point group symmetry based qubit tapering method to periodic systems.
  arXiv  Detail & Related papers  (2020-08-19T22:46:39Z)
• Entanglement generation via power-of-SWAP operations between dynamic electron-spin qubits [62.997667081978825]
  Surface acoustic waves (SAWs) can create moving quantum dots in piezoelectric materials. We show how electron-spin qubits located on dynamic quantum dots can be entangled.
  arXiv  Detail & Related papers  (2020-01-15T19:00:01Z)

This list is automatically generated from the titles and abstracts of the papers in this site.

This site does not guarantee the quality of this site (including all information) and is not responsible for any consequences.