Demonstrating Quantum Computation for Quasiparticle Band Structures

Abstract

Understanding and predicting the properties of solid-state materials from first-principles has been a great challenge for decades. Owing to the recent advances in quantum technologies, quantum computations offer a promising way to achieve this goal. Here, we demonstrate the first-principles calculation of a quasiparticle band structure on actual quantum computers. This is achieved by hybrid quantum-classical algorithms in conjunction with qubit-reduction and error-mitigation techniques. Our demonstration will pave the way to practical applications of quantum computers.

References in corpus (25)

• Quantum Computing in the NISQ era and beyond
• Separable Dual Space Gaussian Pseudo-potentials
• A variational eigenvalue solver on a quantum processor
• Hardware-efficient Variational Quantum Eigensolver for Small Molecules and Quantum Magnets
• Simulated Quantum Computation of Molecular Energies
• Error mitigation for short-depth quantum circuits
• Quantum Algorithms Revisited
• Recent developments in the PySCF program package
• Extending the computational reach of a noisy superconducting quantum processor
• Efficient variational quantum simulator incorporating active error minimisation
• Hybrid Quantum-Classical Hierarchy for Mitigation of Decoherence and Determination of Excited States
• Mitigating measurement errors in multi-qubit experiments
• Qulacs: a fast and versatile quantum circuit simulator for research purpose
• Measurement Optimization in the Variational Quantum Eigensolver Using a Minimum Clique Cover
• Mitigation of readout noise in near-term quantum devices by classical post-processing based on detector tomography
• Unbiasing Fermionic Quantum Monte Carlo with a Quantum Computer
• Sequential minimal optimization for quantum-classical hybrid algorithms
• Detector Tomography on IBM 5-qubit Quantum Computers and Mitigation of Imperfect Measurement
• On The Relation Between Equation-of-Motion Coupled-Cluster Theory and the GW Approximation
• Simulating periodic systems on quantum computer
• A Quantum Algorithm to Calculate Band Structure at the EOM Level of Theory
• A periodic equation-of-motion coupled-cluster implementation applied to $F$-centers in alkaline earth oxides
• Quantum computation of silicon electronic band structure
• Quantum hardware calculations of periodic systems with partition-measurement symmetry verification: simplified models of hydrogen chain and iron crystals
• A systematic variational approach to band theory in a quantum computer

Cited by in corpus (4)

• Full Band Structure Calculation of Semiconducting Materials on a Noisy Quantum Processor
• Quantum computation of a quasiparticle band structure with the quantum-selected configuration interaction
• Moments-based quantum computation of the electric dipole moment of molecular systems
• Qubit frugal entanglement determination with the deep multi-scale entanglement renormalization ansatz