Physical Review Research · 2024 · 38 citations · 49 references
Natural SciencesChemistryPhysicsComputational ChemistryQuantum ComputingQuantum MechanicsComputational Quantum ChemistryFault-tolerant Quantum ComputingQuantum AlgorithmsQuantum CircuitsQuantum ComputationQuantum MeasurementFault-tolerant Quantum AlgorithmsFault-tolerant Quantum CircuitsFault-tolerant Quantum ComputationParameter SelectionQuantum Fault ToleranceQuantum PhaseQuantum Phase EstimationQuantum Phase Estimation Circuits
Quantum phase estimation (QPE) serves as a building block of many different quantum algorithms and finds important applications in computational chemistry problems. Despite the rapid development of quantum hardware, experimental demonstration of QPE for chemistry problems remains challenging due to its large circuit depth and the lack of quantum resources to protect the hardware from noise with fully fault-tolerant protocols. In the present work, we take a step towards fault-tolerant quantum computing by demonstrating a QPE algorithm on a Quantinuum trapped-ion computer. We employ a Bayesian approach to QPE and introduce a routine for optimal parameter selection, which we combine with a <a:math xmlns:a="http://www.w3.org/1998/Math/MathML"><a:mrow><a:mo>[[</a:mo><a:mi>n</a:mi><a:mo>+</a:mo><a:mn>2</a:mn><a:mo>,</a:mo><a:mi>n</a:mi><a:mo>,</a:mo><a:mn>2</a:mn><a:mo>]]</a:mo></a:mrow></a:math> quantum error detection code carefully tailored to the hardware capabilities. As a simple quantum chemistry example, we take a hydrogen molecule represented by a two-qubit Hamiltonian and estimate its ground state energy using our QPE protocol. In the experiment, we use the quantum circuits containing as many as 920 physical two-qubit gates to estimate the ground state energy within <b:math xmlns:b="http://www.w3.org/1998/Math/MathML"><b:mrow><b:mn>6</b:mn><b:mo>×</b:mo><b:msup><b:mn>10</b:mn><b:mrow><b:mo>−</b:mo><b:mn>3</b:mn></b:mrow></b:msup></b:mrow></b:math> hartree of the exact value. Published by the American Physical Society 2024
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