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• W3015520254 abstract "The ability to simulate a fermionic system on a quantum computer is expected to revolutionize chemical engineering, materials design, nuclear physics, to name a few. Thus, optimizing the simulation circuits is of significance in harnessing the power of quantum computers. Here, we address this problem in two aspects. In the fault-tolerant regime, we optimize the <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msub><mml:mi>R</mml:mi><mml:mi>z</mml:mi></mml:msub></mml:math> and <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow class=MJX-TeXAtom-ORD><mml:mtext class=MJX-tex-mathit mathvariant=italic>T gate</mml:mtext></mml:mrow></mml:math> counts along with the ancilla qubit counts required, assuming the use of a product-formula algorithm for implementation. We obtain a savings ratio of two in the gate counts and a savings ratio of eleven in the number of ancilla qubits required over the state of the art. In the pre-fault tolerant regime, we optimize the two-qubit gate counts, assuming the use of the variational quantum eigensolver (VQE) approach. Specific to the latter, we present a framework that enables bootstrapping the VQE progression towards the convergence of the ground-state energy of the fermionic system. This framework, based on perturbation theory, is capable of improving the energy estimate at each cycle of the VQE progression, by about a factor of three closer to the known ground-state energy compared to the standard VQE approach in the test-bed, classically-accessible system of the water molecule. The improved energy estimate in turn results in a commensurate level of savings of quantum resources, such as the number of qubits and quantum gates, required to be within a pre-specified tolerance from the known ground-state energy. We also explore a suite of generalized transformations of fermion to qubit operators and show that resource-requirement savings of up to more than <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mn>20</mml:mn><mml:mi mathvariant=normal>%</mml:mi></mml:math>, in small instances, is possible." @default.
• W3015520254 created "2020-04-17" @default.
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• W3015520254 date "2021-07-26" @default.
• W3015520254 modified "2023-10-15" @default.
• W3015520254 title "Resource-Optimized Fermionic Local-Hamiltonian Simulation on a Quantum Computer for Quantum Chemistry" @default.
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• W3015520254 doi "https://doi.org/10.22331/q-2021-07-26-509" @default.
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