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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…

Quantum Physics · Physics 2021-07-28 Qingfeng Wang , Ming Li , Christopher Monroe , Yunseong Nam

The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…

Quantum Physics · Physics 2022-06-09 Jie Liu , Lingyun Wan , Zhenyu Li , Jinlong Yang

The most scalable proposed methods of simulating lattice fermions on noisy quantum computers employ encodings that eliminate nonlocal operators using a constant factor more qubits and a nontrivial stabilizer group. In this work, we…

Quantum Physics · Physics 2023-05-03 Riley W. Chien , Kanav Setia , Xavier Bonet-Monroig , Mark Steudtner , James D. Whitfield

Efficient encoding of electronic operators into qubits is essential for quantum chemistry simulations. The majority of methods map single electron states to qubits, effectively handling electron interactions. Alternatively, pairs of…

Quantum Physics · Physics 2025-09-09 Francisco Javier Del Arco Santos , Jakob S. Kottmann

Simulation of fermionic Hamiltonians with gate-based quantum computers requires the selection of an encoding from fermionic operators to quantum gates, the most widely used being the Jordan-Wigner transform. Many alternative encodings…

Quantum Physics · Physics 2026-05-01 Michael Williams de la Bastida , Thomas M. Bickley , Peter V. Coveney

We use the variational quantum eigensolver (VQE) to simulate Kitaev spin models with and without integrability breaking perturbations, focusing in particular on the honeycomb and square-octagon lattices. These models are well known for…

The computation of electronic excited states and real-time quantum dynamics of many-fermion systems is among the most promising applications of near-term quantum computing. In this work, we generalize the reinforcement learning contracted…

Quantum Physics · Physics 2026-05-19 Jiaji Zhang , Lipeng Chen , Carlos L. Benavides-Riveros

Quantum computers promise to revolutionise electronic simulations by overcoming the exponential scaling of many-electron problems. While electronic wave functions can be represented using a product of fermionic unitary operators, shallow…

Quantum Physics · Physics 2022-07-04 Hugh G. A. Burton , Daniel Marti-Dafcik , David P. Tew , David J. Wales

Quantum computing promises to revolutionize many-body simulations for quantum chemistry, but its potential is constrained by limited qubits and noise in current devices. In this work, we introduce the Lossy Quantum Selected Configuration…

Quantum Physics · Physics 2025-09-17 Yu-cheng Chen , Ronin Wu , M. H. Cheng , Min-Hsiu Hsieh

The simulation of strongly correlated many-electron systems is one of the most promising applications for near-term quantum devices. Here we use a class of eigenvalue solvers (presented in Phys. Rev. Lett. 126, 070504 (2021)) in which a…

Quantum Physics · Physics 2022-04-18 Scott E. Smart , Jan-Niklas Boyn , David A. Mazziotti

Quantum computers are expected to become a powerful tool for studying physical quantum systems. Consequently, a number of quantum algorithms for studying the physical properties of such systems have been developed. While qubit-based quantum…

We investigate the simulation of fermionic systems on a quantum computer. We show in detail how quantum computers avoid the dynamical sign problem present in classical simulations of these systems, therefore reducing a problem believed to…

Condensed Matter · Physics 2009-02-05 G. Ortiz , J. E. Gubernatis , E. Knill , R. Laflamme

Number-conserved subspace encoding reduces resources needed for quantum simulations, but scalable complexity trade-off bounds for $M$ modes and $N$ particles with $\mathcal{O}(N\log M)$ qubits have remained unknown. We study…

Quantum Physics · Physics 2025-09-23 M. H. Cheng , Yu-Cheng Chen , Qian Wang , V. Bartsch , M. S. Kim , Alice Hu , Min-Hsiu Hsieh

Molecular quantum simulations with the variational quantum eigensolver (VQE) rely on ansatz states that approximate the molecular ground states. These ansatz states are generally defined by parametrized fermionic excitation operators and an…

Quantum Physics · Physics 2021-01-04 Yordan S. Yordanov , David R. M. Arvidsson-Shukur , Crispin H. W. Barnes

Simulating molecular systems on quantum computers requires efficient mappings from Fermionic operators to qubit operators. Traditional mappings such as Jordan-Wigner or Bravyi-Kitaev often produce high-weight Pauli terms, increasing circuit…

Quantum Physics · Physics 2025-11-13 James Brown , Tarini S Hardikar , Kenny Heitritter , Kanav Setia

Establishing the nature of the ground state of the Heisenberg antiferromagnet (HAFM) on the kagome lattice is well known to be a prohibitively difficult problem for classical computers. Here, we give a detailed proposal for a Variational…

Quantum Physics · Physics 2022-12-26 Joris Kattemölle , Jasper van Wezel

To simulate a fermionic system on a quantum computer, it is necessary to encode the state of the fermions onto qubits. Fermion-to-qubit mappings such as the Jordan-Wigner and Bravyi-Kitaev transformations do this using $N$ qubits to…

Quantum Physics · Physics 2023-08-17 Brent Harrison , Dylan Nelson , Daniel Adamiak , James Whitfield

Assemblies of strongly interacting fermions, whether in a condensed-matter or a quantum chemistry context, range amongst the most promising candidate systems for which quantum computing platforms could provide an advantage. Near-term…

Quantum Physics · Physics 2024-06-21 Pauline Besserve , Michel Ferrero , Thomas Ayral

Compact representations of fermionic Hamiltonians are necessary to perform calculations on quantum computers that lack error-correction. A fermionic system is typically defined within a subspace of fixed particle number and spin while…

Quantum Physics · Physics 2022-05-25 Diana Chamaki , Mekena Metcalf , Wibe A. de Jong