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1
Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00341
Abstract: The electronic structure is an anticipated application for quantum computers. However, quantum circuits required to represent the highly entangled electronic wave functions within the variational quantum eigensolver (VQE) framework are far beyond the capacity of…
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Keywords:
algorithms;
circuit depth;
quantum;
variational quantum ... See more keywords
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1
Published in 2022 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.2c00403
Abstract: The variational quantum eigensolver (VQE) algorithm can simulate the chemical systems such as molecules in the noisy-intermediate-scale quantum devices and shows promising applications in quantum chemistry simulations. The accuracy and computational cost of the VQE…
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Keywords:
adapt vqe;
vqe algorithm;
quantum eigensolver;
quantum ... See more keywords
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2
Published in 2023 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.3c00150
Abstract: We present a method to compute the many-body real-time Green's function using an adaptive variational quantum dynamics simulation approach. The real-time Green's function involves the time evolution of a quantum state with one additional electron…
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Keywords:
many body;
function;
green function;
variational quantum ... See more keywords
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1
Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c01053
Abstract: The possibility of performing quantum chemical calculations using quantum computers has attracted much interest. In this regard, variational quantum deflation (VQD) is a quantum-classical hybrid algorithm for the calculation of excited states with noisy intermediate-scale…
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Keywords:
core ionized;
method;
calculation;
variational quantum ... See more keywords
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Published in 2021 at "npj Quantum Information"
DOI: 10.1038/s41534-021-00452-9
Abstract: We introduce an optimisation method for variational quantum algorithms and experimentally demonstrate a 100-fold improvement in efficiency compared to naive implementations. The effectiveness of our approach is shown by obtaining multi-dimensional energy surfaces for small…
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Keywords:
algorithm information;
quantum;
information;
quantum algorithm ... See more keywords
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Published in 2022 at "Scientific Reports"
DOI: 10.1038/s41598-022-07296-z
Abstract: Preparing thermal states on a quantum computer can have a variety of applications, from simulating many-body quantum systems to training machine learning models. Variational circuits have been proposed for this task on near-term quantum computers,…
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Keywords:
thermal state;
quantum;
noise assisted;
variational quantum ... See more keywords
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Published in 2020 at "Physical Review A"
DOI: 10.1103/physreva.101.052340
Abstract: We propose a scheme to restore spatial symmetry of Hamiltonian in the variational-quantum-eigensolver (VQE) algorithm for which the quantum circuit structures used usually break the Hamiltonian symmetry. The symmetry-adapted VQE scheme introduced here simply applies…
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Keywords:
scheme;
symmetry adapted;
quantum eigensolver;
symmetry ... See more keywords
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Published in 2020 at "Physical Review A"
DOI: 10.1103/physreva.102.042402
Abstract: We perform a systematic investigation of variational forms (wave function Ansatze), to determine the ground state energies and properties of two-dimensional model fermionic systems on triangular lattices (with and without periodic boundary conditions), using the…
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Keywords:
entanglement production;
quantum eigensolver;
variational quantum;
convergence ... See more keywords
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Published in 2021 at "Physical Review A"
DOI: 10.1103/physreva.104.052409
Abstract: Computer-aided engineering techniques are indispensable in modern engineering developments. In particular, partial diļ¬erential equations are commonly used to simulate the dynamics of physical phenomena, but very large systems are often intractable within a reasonable computation…
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Keywords:
poisson equation;
solving poisson;
quantum algorithm;
quantum ... See more keywords
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Published in 2021 at "Physical Review A"
DOI: 10.1103/physreva.104.062443
Abstract: Optimization of unitary transformations in Variational Quantum Algorithms benefits highly from efficient evaluation of cost function gradients with respect to amplitudes of unitary generators. We propose several extensions of the parametric-shift-rule to formulating these gradients…
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Keywords:
shift rule;
variational quantum;
unitary transformations;
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1
Published in 2022 at "Physical Review A"
DOI: 10.1103/physreva.105.012423
Abstract: Variational quantum algorithms have found success in the NISQ era owing to their hybrid quantum-classical approach which mitigate the problems of noise in quantum computers. In our study we introduce the dynamic ansatz in the…
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Keywords:
dynamic ansatz;
linear solver;
quantum linear;
quantum ... See more keywords