Faster quantum chemistry simulation on fault-tolerant quantum computers

DOI10.1088/1367-2630/14/11/115023zbMATH Open1448.81228arXiv1204.0567OpenAlexW2100129648WikidataQ59443344 ScholiaQ59443344MaRDI QIDQ5137802FDOQ5137802

Authors: N. Cody Jones, James D. Whitfield, Peter L. McMahon, Man-Hong Yung, Rodney Van Meter, Alán Aspuru-Guzik, Yoshihisa Yamamoto 

Publication date: 2 December 2020

Published in: New Journal of Physics (Search for Journal in Brave)

Abstract: Quantum computers can in principle simulate quantum physics exponentially faster than their classical counterparts, but some technical hurdles remain. Here we consider methods to make proposed chemical simulation algorithms computationally fast on fault-tolerant quantum computers in the circuit model. Fault tolerance constrains the choice of available gates, so that arbitrary gates required for a simulation algorithm must be constructed from sequences of fundamental operations. We examine techniques for constructing arbitrary gates which perform substantially faster than circuits based on the conventional Solovay-Kitaev algorithm [C.M. Dawson and M.A. Nielsen, emph{Quantum Inf. Comput.}, extbf{6}:81, 2006]. For a given approximation error $epsilon$, arbitrary single-qubit gates can be produced fault-tolerantly and using a limited set of gates in time which is $O(logepsilon)$ or $O(loglogepsilon)$; with sufficient parallel preparation of ancillas, constant average depth is possible using a method we call programmable ancilla rotations. Moreover, we construct and analyze efficient implementations of first- and second-quantized simulation algorithms using the fault-tolerant arbitrary gates and other techniques, such as implementing various subroutines in constant time. A specific example we analyze is the ground-state energy calculation for Lithium hydride.

Full work available at URL: https://arxiv.org/abs/1204.0567

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Mathematics Subject Classification ID

Biochemistry, molecular biology (92C40) Quantum computation (81P68) Computational stability and error-correcting codes for quantum computation and communication processing (81P73)

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Cited In (16)

• T-count optimized Wallace tree integer multiplier for quantum computing
• Floating point representations in quantum circuit synthesis
• Quantum algorithms for the generalized eigenvalue problem
• Bounding the costs of quantum simulation of many-body physics in real space
• Quantum adder for superposition states
• Optimizing qubit resources for quantum chemistry simulations in second quantization on a quantum computer
• Title not available (Why is that?)
• Toward prethreshold gate-based quantum simulation of chemical dynamics: using potential energy surfaces to simulate few-channel molecular collisions
• Ancilla-approximable quantum state transformations
• Two-qubit stabilizer circuits with recovery. II: Analysis
• Toward the first quantum simulation with quantum speedup
• Exponentially more precise quantum simulation of fermions in second quantization
• Hierarchical system mapping for large-scale fault-tolerant quantum computing
• Divide and conquer approach to quantum Hamiltonian simulation
• Application of fermionic marginal constraints to hybrid quantum algorithms
• The variational quantum eigensolver: a review of methods and best practices

Uses Software

• GAMESS

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