Abstract

The fermionic quantum emulator (FQE) is a collection of protocols for emulating quantum dynamics of fermions efficiently taking advantage of common symmetries present in chemical, materials, and condensed-matter systems. The library is fully integrated with the OpenFermion software package and serves as the simulation backend. The FQE reduces memory footprint by exploiting number and spin symmetry along with custom evolution routines for sparse and dense Hamiltonians, allowing us to study significantly larger quantum circuits at modest computational cost when compared against qubit state vector simulators. This release paper outlines the technical details of the simulation methods and key advantages.

Highlights

  • High accuracy simulation of fermionic systems is an important and challenging problem and is a major motivation behind current attempts to develop quantum computers [1, 4, 12, 31]

  • There has been significant experimental progress towards realizing the simulation of fermionic systems on current quantum devices [3, 19]. As these experiments scale in size there is a growing need to understand the possibilities for quantum advantage, with one approach being to characterize the classical emulation complexity of the corresponding quantum circuits

  • We describe an implementation of protocols to efficiently emulate quantum circuits describing time evolution under fermionic generators

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Summary

Introduction

High accuracy simulation of fermionic systems is an important and challenging problem and is a major motivation behind current attempts to develop quantum computers [1, 4, 12, 31]. We describe an implementation of protocols to efficiently emulate quantum circuits describing time evolution under fermionic generators. There have been many developments in quantum circuit simulation and emulation These advancements can be classified into algorithmic improvements [6, 7, 14, 14, 16,17,18, 26] and computational implementation improvements [24, 37, 39, 41]. This work describes the key technical aspects of the library, demonstrates how it can be used in quantum algorithm development, and makes single-thread and multi-threaded timing comparisons for key circuit primitives against Cirq [9] and the highly performant general purpose quantum circuit simulator Qsim [32]. We close with a perspective on the development of the library and future directions

Wavefunctions and Hilbert space organization
Evolution of Sparse Hamiltonians
Evolution of Dense Hamiltonians
Diagonal pair Hamiltonians
Quadratic Hamiltonians
Operator Action on the Wavefunction
Knowles–Handy algorithm
Harrison–Zarrabian algorithm for low filling
Olsen’s algorithm
RDM computation
Closing thoughts and future directions
B Basis change
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