Computing Free Energies with Fluctuation Relations on Quantum Computers

• URL: http://arxiv.org/abs/2103.09846v2
• Date: Fri, 3 Sep 2021 20:36:43 GMT
• Title: Computing Free Energies with Fluctuation Relations on Quantum Computers
• Authors: Lindsay Bassman, Katherine Klymko, Diyi Liu, Norman M. Tubman, Wibe A. de Jong
• Abstract summary: We present an algorithm utilizing a fluctuation relation known as the Jarzynski equality to approximate free energy differences of quantum systems on a quantum computer. We successfully demonstrate a proof-of-concept of our algorithm using the transverse field Ising model on a real quantum processor.
• Score: 0.0
• License: http://arxiv.org/licenses/nonexclusive-distrib/1.0/
• Abstract: Fluctuation relations allow for the computation of equilibrium properties, like free energy, from an ensemble of non-equilibrium dynamics simulations. Computing them for quantum systems, however, can be difficult, as performing dynamic simulations of such systems is exponentially hard on classical computers. Quantum computers can alleviate this hurdle, as they can efficiently simulate quantum systems. Here, we present an algorithm utilizing a fluctuation relation known as the Jarzynski equality to approximate free energy differences of quantum systems on a quantum computer. We discuss under which conditions our approximation becomes exact, and under which conditions it serves as a strict upper bound. Furthermore, we successfully demonstrate a proof-of-concept of our algorithm using the transverse field Ising model on a real quantum processor. The free energy is a central thermodynamic property that allows one to compute virtually any equilibrium property of a physical system. Thus, as quantum hardware continues to improve, our algorithm may serve as a valuable tool in a wide range of applications including the construction of phase diagrams, prediction of transport properties and reaction constants, and computer-aided drug design in the future.

Related papers

• Simulation of open quantum systems on universal quantum computers [15.876768787615179]
  We present an innovative and scalable method to simulate open quantum systems using quantum computers. We define an adjoint density matrix as a counterpart of the true density matrix, which reduces to a mixed-unitary quantum channel. accurate long-time simulation can also be achieved as the adjoint density matrix and the true dissipated one converges to the same state.
  arXiv  Detail & Related papers  (2024-05-31T09:07:27Z)
• Quantum data learning for quantum simulations in high-energy physics [55.41644538483948]
  We explore the applicability of quantum-data learning to practical problems in high-energy physics. We make use of ansatz based on quantum convolutional neural networks and numerically show that it is capable of recognizing quantum phases of ground states. The observation of non-trivial learning properties demonstrated in these benchmarks will motivate further exploration of the quantum-data learning architecture in high-energy physics.
  arXiv  Detail & Related papers  (2023-06-29T18:00:01Z)
• Optimal Stochastic Resource Allocation for Distributed Quantum Computing [50.809738453571015]
  We propose a resource allocation scheme for distributed quantum computing (DQC) based on programming to minimize the total deployment cost for quantum resources. The evaluation demonstrates the effectiveness and ability of the proposed scheme to balance the utilization of quantum computers and on-demand quantum computers.
  arXiv  Detail & Related papers  (2022-09-16T02:37:32Z)
• Variational Quantum Simulations of Finite-Temperature Dynamical Properties via Thermofield Dynamics [19.738342279357845]
  We present a variational quantum simulation protocol based on the thermofield dynamics formalism. Our approach is capable of simulating non-equilibrium phenomena which have not been previously explored with quantum computers.
  arXiv  Detail & Related papers  (2022-06-11T17:22:55Z)
• 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)
• 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)
• Information Scrambling in Computationally Complex Quantum Circuits [56.22772134614514]
  We experimentally investigate the dynamics of quantum scrambling on a 53-qubit quantum processor. We show that while operator spreading is captured by an efficient classical model, operator entanglement requires exponentially scaled computational resources to simulate.
  arXiv  Detail & Related papers  (2021-01-21T22:18:49Z)
• Digital Quantum Simulation of Non-Equilibrium Quantum Many-Body Systems [0.0]
  Digital quantum simulation uses the capabilities of quantum computers to determine the dynamics of quantum systems. Here we use the IBM quantum computers to simulate the non-equilibrium dynamics of few spin and fermionic systems.
  arXiv  Detail & Related papers  (2020-09-15T22:29:04Z)
• Considerations for evaluating thermodynamic properties with hybrid quantum-classical computing work-flows [0.0]
  Quantum chemistry applications on quantum computers currently rely heavily on the variational quantum eigensolver algorithm. We present a summary of the hybrid quantum-classical work-flow to compute thermodynamic properties. We show that through careful selection of work-flow options, nearly order-of-magnitude increases in accuracy are possible at equivalent computing time.
  arXiv  Detail & Related papers  (2020-03-04T19:32:53Z)
• Simulation of Thermal Relaxation in Spin Chemistry Systems on a Quantum Computer Using Inherent Qubit Decoherence [53.20999552522241]
  We seek to take advantage of qubit decoherence as a resource in simulating the behavior of real world quantum systems. We present three methods for implementing the thermal relaxation. We find excellent agreement between our results, experimental data, and the theoretical prediction.
  arXiv  Detail & Related papers  (2020-01-03T11:48:11Z)

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.