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We present calculations of the ground and excited state energies of spin defects in solids carried out on a quantum computer, using a hybrid classical/quantum protocol. We focus on the negatively charged nitrogen vacancy center in diamond…

Quantum Physics · Physics 2025-07-01 Benchen Huang , Marco Govoni , Giulia Galli

Simulating electronic structure on a quantum computer requires encoding of fermionic systems onto qubits. Common encoding methods transform a fermionic system of $N$ spin-orbitals into an $N$-qubit system, but many of the fermionic…

Quantum Physics · Physics 2022-06-07 Yu Shee , Pei-Kai Tsai , Cheng-Lin Hong , Hao-Chung Cheng , Hsi-Sheng Goan

One of the most promising applications of noisy intermediate-scale quantum computers is the simulation of molecular Hamiltonians using the variational quantum eigensolver. We show that encoding symmetries of the simulated Hamiltonian in the…

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

Quantum computing is a promising technology that harnesses the peculiarities of quantum mechanics to deliver computational speedups for some problems that are intractable to solve on a classical computer. Current generation noisy…

Numerical Analysis · Mathematics 2022-09-16 Daan Camps , Efekan Kökcü , Lindsay Bassman , Wibe A. de Jong , Alexander F. Kemper , Roel Van Beeumen

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

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

A compelling application of quantum computers with thousands of qubits is quantum simulation. Simulating fermionic systems is both a problem with clear real-world applications and a computationally challenging task. In order to simulate a…

Quantum Physics · Physics 2026-02-27 Emiliia Dyrenkova , Raymond Laflamme , Michael Vasmer

Quantum chemistry simulations on a quantum computer suffer from the overhead needed for encoding the fermionic problem in a bosonic system of qubits. By exploiting the block diagonality of a fermionic Hamiltonian, we show that the number of…

Quantum Physics · Physics 2016-06-09 Nikolaj Moll , Andreas Fuhrer , Peter Staar , Ivano Tavernelli

We numerically analyze the feasibility of a platform-neutral, general strategy to perform quantum simulations of fermionic lattice field theories under open boundary conditions. The digital quantum simulator requires solely one- and…

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

Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to…

We discuss encodings of fermionic many-body systems by qubits in the presence of symmetries. Such encodings eliminate redundant degrees of freedom in a way that preserves a simple structure of the system Hamiltonian enabling quantum…

Quantum Physics · Physics 2017-01-31 Sergey Bravyi , Jay M. Gambetta , Antonio Mezzacapo , Kristan Temme

We propose and analyze an approach to realize quantum computation and simulation using fermionic particles under quantum gas microscopes. Our work is inspired by a recent experimental demonstration of large-scale quantum registers, where…

Quantum Physics · Physics 2023-06-07 Xiangkai Sun , Di Luo , Soonwon Choi

Near-term quantum simulators are mostly based on qubit-based architectures. However, their imperfect nature significantly limits their practical application. The situation is even worse for simulating fermionic systems, which underlie most…

Quantum Physics · Physics 2023-11-29 Qingyu Li , Chiranjib Mukhopadhyay , Abolfazl Bayat

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

We present an encoding technique that reduces the effects of noise on quantum spin systems whose operation is driven by Hamiltonian evolution. This technique is widely applicable, being most relevant to the scenarios where there are…

Quantum Physics · Physics 2022-03-28 Catherine Keele , Alastair Kay

Quantum computing is being extensively used in quantum chemistry, especially in simulating simple molecules and evaluating properties like the ground state energy, dipole moment, etc. The transformation of a molecular Hamiltonian from the…

Quantum Physics · Physics 2024-01-18 Harshdeep Singh , Sabyashachi Mishra , Sonjoy Majumder

Quantum computation of vibrational properties of molecules is a promising platform to obtain computational advantages for computational chemistry. However, fault-tolerant quantum computations of vibrational properties remain a relatively…

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
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