Boson sampling enhanced quantum chemistry

Abstract

In this work, we give a hybrid quantum-classical algorithm for solving electronic structure problems of molecules using only linear quantum optical systems. The variational ansatz we proposed is a hybrid of non-interacting Boson dynamics and classical computational chemistry methods, specifically, the Hartree-Fock method and the Configuration Interaction method. The Boson part is built by a linear optical interferometer which is easier to realize compared with the well-known Unitary Coupled Cluster (UCC) ansatz composed of quantum gates in conventional VQE and the classical part is merely classical processing acting on the Hamiltonian. We called such ansatzes Boson Sampling-Classic (BS-C). The appearance of permanents in the Boson part has its physical intuition to provide different kinds of resources from commonly used single-, double-, and higher-excitations in classical methods and the UCC ansatz to exploring chemical quantum states. Such resources can help enhance the accuracy of methods used in the classical parts. We give a scalable hybrid homodyne and photon number measurement procedure for evaluating the energy value which has intrinsic abilities to mitigate photon loss errors and discuss the extra measurement cost induced by the no Pauli exclusion principle for Bosons with its solutions. To demonstrate our proposal, we run numerical experiments on several molecules and obtain their potential energy curves reaching chemical accuracy.

15 pages, 5 figures

References in corpus (31)

• Quantum Computing in the NISQ era and beyond
• Gaussian Quantum Information
• Variational Quantum Algorithms
• Cavity quantum electrodynamics for superconducting electrical circuits: an architecture for quantum computation
• Review article: Linear optical quantum computing
• Quantum computational advantage using photons
• Barren plateaus in quantum neural network training landscapes
• The theory of variational hybrid quantum-classical algorithms
• Measurement-based quantum computation with cluster states
• Quantum computational chemistry
• Predicting Many Properties of a Quantum System from Very Few Measurements
• Strong quantum computational advantage using a superconducting quantum processor
• On-Demand Single Photons with High Extraction Efficiency and Near-Unity Indistinguishability from a Resonantly Driven Quantum Dot in a Micropillar
• Hartree-Fock on a superconducting qubit quantum computer
• Connecting ansatz expressibility to gradient magnitudes and barren plateaus
• Demonstration of the trapped-ion quantum-CCD computer architecture
• Boson sampling with 20 input photons in 60-mode interferometers at $10^{14}$ state spaces
• Quantum computing with neutral atoms
• Phase-Programmable Gaussian Boson Sampling Using Stimulated Squeezed Light
• Boson Sampling for Molecular Vibronic Spectra
• A high-fidelity noiseless amplifier for quantum light states
• Matchgates and classical simulation of quantum circuits
• Quantum Sampling Problems, BosonSampling and Quantum Supremacy
• Molecular Docking with Gaussian Boson Sampling
• Gaussian Boson Sampling with Pseudo-Photon-Number Resolving Detectors and Quantum Computational Advantage
• Using Gaussian Boson Sampling to Find Dense Subgraphs
• An On-chip Homodyne Detector for Measuring Quantum States and Generating Random Numbers
• Orbital optimized unitary coupled cluster theory for quantum computer
• Boson sampling with Gaussian measurements
• Homodyne tomography with homodyne-like detection
• Schrödinger-Heisenberg Variational Quantum Algorithms