Simulating electronic structure on bosonic quantum computers

• URL: http://arxiv.org/abs/2404.10222v3
• Date: Thu, 17 Oct 2024 18:34:31 GMT
• Title: Simulating electronic structure on bosonic quantum computers
• Authors: Rishab Dutta, Nam P. Vu, Chuzhi Xu, Ningyi Lyu, Alexander V. Soudackov, Xiaohan Dan, Haote Li, Chen Wang, Victor S. Batista,
• Abstract summary: 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.
• Score: 35.884125235274865
• License:
• Abstract: Computations with quantum harmonic oscillators, or qumodes, represents a promising and rapidly evolving approach for quantum computing. Unlike qubits, which are two-level quantum systems, bosonic qumodes can have an infinite number of discrete levels, and can also be represented using continuous-variable bases. One of the most promising applications of quantum computing is the simulation of many-fermion problems, such as those encountered in molecular electronic structure calculations. In this work, we demonstrate how an electronic structure Hamiltonian can be transformed into a system of qumodes through qubit-assisted fermion-to-qumode mapping. After mapping the electronic structure Hamiltonian to a qubit Hamiltonian, we show how to represent it as a linear combination of bosonic gates, which can be universally controlled by qubits. We illustrate the potential of this mapping by applying it to the dihydrogen molecule, mapping the four-qubit Hamiltonian to a qubit-qumode system. The preparation of the trial qumode state and the computation of the expectation value are achieved by coupling the mapped qubit-qumode system with an ancilla qubit. This enables the formulation of bosonic variational quantum eigensolver (VQE) algorithms, such as those on hybrid qubit-qumode gates like echoed conditional displacement (ECD-VQE) or selective number-dependent arbitrary phase (SNAP-VQE), to determine the ground state of the dihydrogen molecule. In circuit quantum electrodynamics (cQED) hardware, these methods can be efficiently implemented using a microwave resonator coupled to two superconducting transmon qubits. We anticipate the reported work will pave the way for simulating many-fermion systems by leveraging the potential of hybrid qubit-qumode quantum devices.

Related papers

• H\"uckel Molecular Orbital Theory on a Quantum Computer: A Scalable System-Agnostic Variational Implementation with Compact Encoding [0.0]
  H"uckel molecular orbital (HMO) theory provides a semi-empirical treatment of the electronic structure in pi-electronic systems. A scalable system-agnostic execution of HMO theory on a quantum computer is reported here.
  arXiv  Detail & Related papers  (2023-12-04T16:44:53Z)
• Verifiably Exact Solution of the Electronic Schr\"odinger Equation on Quantum Devices [0.0]
  We present an algorithm that yields verifiably exact solutions of the many-electron Schr"odinger equation. We demonstrate the algorithm on both quantum simulators and noisy quantum computers.
  arXiv  Detail & Related papers  (2023-03-01T19:00:00Z)
• Quantum circuit matrix product state ansatz for large-scale simulations of molecules [9.601481589619183]
  We propose to calculate the ground state energies of molecular systems by variationally optimizing quantum circuit MPS with a relatively small number of qubits. QCMPS simulation of a linear molecule with 50 orbitals can reach the chemical accuracy using only 6 qubits at a moderate circuit depth.
  arXiv  Detail & Related papers  (2023-01-16T11:43:43Z)
• Quantum emulation of the transient dynamics in the multistate Landau-Zener model [50.591267188664666]
  We study the transient dynamics in the multistate Landau-Zener model as a function of the Landau-Zener velocity. Our experiments pave the way for more complex simulations with qubits coupled to an engineered bosonic mode spectrum.
  arXiv  Detail & Related papers  (2022-11-26T15:04:11Z)
• Recompilation-enhanced simulation of electron-phonon dynamics on IBM Quantum computers [62.997667081978825]
  We consider the absolute resource cost for gate-based quantum simulation of small electron-phonon systems. We perform experiments on IBM quantum hardware for both weak and strong electron-phonon coupling. Despite significant device noise, through the use of approximate circuit recompilation we obtain electron-phonon dynamics on current quantum computers comparable to exact diagonalisation.
  arXiv  Detail & Related papers  (2022-02-16T19:00:00Z)
• Variational Adiabatic Gauge Transformation on real quantum hardware for effective low-energy Hamiltonians and accurate diagonalization [68.8204255655161]
  We introduce the Variational Adiabatic Gauge Transformation (VAGT) VAGT is a non-perturbative hybrid quantum algorithm that can use nowadays quantum computers to learn the variational parameters of the unitary circuit. The accuracy of VAGT is tested trough numerical simulations, as well as simulations on Rigetti and IonQ quantum computers.
  arXiv  Detail & Related papers  (2021-11-16T20:50:08Z)
• Coarse grained intermolecular interactions on quantum processors [0.0]
  We develop a coarse-grained representation of the electronic response that is ideally suited for determining the ground state of weakly interacting molecules. We demonstrate our method on IBM superconducting quantum processors. We conclude that current-generation quantum hardware is capable of probing energies in this weakly bound but nevertheless chemically ubiquitous and biologically important regime.
  arXiv  Detail & Related papers  (2021-10-03T09:56:47Z)
• An Algebraic Quantum Circuit Compression Algorithm for Hamiltonian Simulation [55.41644538483948]
  Current generation noisy intermediate-scale quantum (NISQ) computers are severely limited in chip size and error rates. We derive localized circuit transformations to efficiently compress quantum circuits for simulation of certain spin Hamiltonians known as free fermions. The proposed numerical circuit compression algorithm behaves backward stable and scales cubically in the number of spins enabling circuit synthesis beyond $mathcalO(103)$ spins.
  arXiv  Detail & Related papers  (2021-08-06T19:38:03Z)
• Algebraic Compression of Quantum Circuits for Hamiltonian Evolution [52.77024349608834]
  Unitary evolution under a time dependent Hamiltonian is a key component of simulation on quantum hardware. We present an algorithm that compresses the Trotter steps into a single block of quantum gates. This results in a fixed depth time evolution for certain classes of Hamiltonians.
  arXiv  Detail & Related papers  (2021-08-06T19:38:01Z)
• Computing molecular excited states on a D-Wave quantum annealer [52.5289706853773]
  We demonstrate the use of a D-Wave quantum annealer for the calculation of excited electronic states of molecular systems. These simulations play an important role in a number of areas, such as photovoltaics, semiconductor technology and nanoscience.
  arXiv  Detail & Related papers  (2021-07-01T01:02:17Z)
• Gate-free state preparation for fast variational quantum eigensolver simulations: ctrl-VQE [0.0]
  VQE is currently the flagship algorithm for solving electronic structure problems on near-term quantum computers. We propose an alternative algorithm where the quantum circuit used for state preparation is removed entirely and replaced by a quantum control routine. As with VQE, the objective function optimized is the expectation value of the qubit-mapped molecular Hamiltonian.
  arXiv  Detail & Related papers  (2020-08-10T17:53:09Z)

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.