Simulation of chemical reaction dynamics on an NMR quantum computer

Abstract

Quantum simulation can beat current classical computers with minimally a few tens of qubits and will likely become the first practical use of a quantum computer. One promising application of quantum simulation is to attack challenging quantum chemistry problems. Here we report an experimental demonstration that a small nuclear-magnetic-resonance (NMR) quantum computer is already able to simulate the dynamics of a prototype chemical reaction. The experimental results agree well with classical simulations. We conclude that the quantum simulation of chemical reaction dynamics not computable on current classical computers is feasible in the near future.

37 pages, 7 figures

References in corpus (5)

• Simulated Quantum Computation of Molecular Energies
• Towards Quantum Chemistry on a Quantum Computer
• Polynomial-time quantum algorithm for the simulation of chemical dynamics
• Liquid State NMR as a Test-bed for Developing Quantum Control Methods
• Modelling chemical reactions using semiconductor quantum dots

Cited by in corpus (36)

• Quantum Simulation
• The theory of variational hybrid quantum-classical algorithms
• Quantum information processing with superconducting circuits: a review
• Hybrid Quantum-Classical Hierarchy for Mitigation of Decoherence and Determination of Excited States
• Can One Trust Quantum Simulators?
• Experimental Realization of Quantum Artificial Intelligence
• Chemical Basis of Trotter-Suzuki Errors in Quantum Chemistry Simulation
• Adiabatic Quantum Simulation of Quantum Chemistry
• Quantum Simulation of Helium Hydride in a Solid-State Spin Register
• Noisy intermediate-scale quantum computers
• Exploiting locality in quantum computation for quantum chemistry
• Experimental realization of quantum algorithm for solving linear systems of equations
• Adiabatic state preparation study of methylene
• Quantum state tomography via reduced density matrices
• Tomography is necessary for universal entanglement detection with single-copy observables
• Introduction to Quantum Algorithms for Physics and Chemistry
• Experimental Identification of Non-Abelian Topological Orders on a Quantum Simulator
• Experimental implementation of adiabatic passage between different topological orders
• Exact and efficient quantum simulation of open quantum dynamics for various of Hamiltonians and spectral densities
• Relativistic quantum chemistry on quantum computers
• Experimental quantum Zeno effect in NMR with entanglement-based measurement
• On the quantumness of correlations in nuclear magnetic resonance
• Quantum Algorithms for Quantum Chemistry based on the sparsity of the CI-matrix
• Linear-algebraic bath transformation for simulating complex open quantum systems
• Estimating Franck-Condon factors using an NMR quantum processor
• Entanglement Measures in Embedding Quantum Simulators with Nuclear Spins
• Quantum Computation of Hydrogen Bond Dynamics and Vibrational Spectra
• Adiabatic quantum simulations with driven superconducting qubits
• Controlling NMR spin systems for quantum computation
• Resource estimations for the Hamiltonian simulation in correlated electron materials
• Quantum simulations of a particle in one-dimensional potentials using NMR
• Hybrid magic state distillation for universal fault-tolerant quantum computation
• Experimental Simulation of Bosonic Creation and Annihilation Operators in a Quantum Processor
• Quantum nuclear dynamics on a distributed set of ion-trap quantum computing systems
• Quantum circuit and mapping algorithms for wavepacket dynamics: case study of anharmonic hydrogen bonds in protonated and hydroxide water clusters
• Variational Quantum Simulation of Chemical Dynamics with Quantum Computers