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Achieving an accurate description of fermionic systems typically requires considerably many more orbitals than fermions. Previous resource analyses of quantum chemistry simulation often failed to exploit this low fermionic number…

Quantum Physics · Physics 2022-05-24 Sam McArdle , Earl Campbell , Yuan Su

Simulating computationally hard fermionic systems is a promising application of quantum computing. However, mapping nonlocal fermionic operators to qubits often produces deep circuits, rendering such simulations impractical on near-term…

Quantum Physics · Physics 2025-09-10 D. E. Fisher , S. A. Fldzhyan , D. V. Minaev , S. S. Straupe , M. Yu. Saygin

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

Simulating a fermionic system on a quantum computer requires encoding the anti-commuting fermionic variables into the operators acting on the qubit Hilbert space. The most familiar of which, the Jordan-Wigner transformation, encodes…

Quantum Physics · Physics 2020-09-25 Riley W. Chien , James D. Whitfield

The utility of effective model spaces in quantum simulations of non-relativistic quantum many-body systems is explored in the context of the Lipkin-Meshkov-Glick model of interacting fermions. We introduce an iterative…

Quantum Physics · Physics 2023-08-25 Caroline E. P. Robin , Martin J. Savage

Mapping out phase diagrams of quantum systems using classical simulations can be challenging or intractable due to the computational resources required to simulate even small quantum systems far away from the thermodynamic limit. We…

Quantum Physics · Physics 2024-06-05 Jan Lukas Bosse , Raul Santos , Ashley Montanaro

Simulating many-body fermionic systems in conventional qubit-based quantum computers poses significant challenges due to the overheads associated with the encoding of fermionic statistics in qubits, leading to the proposal of native…

Quantum Physics · Physics 2025-12-15 Ahana Ghoshal , Carlos de Gois , Kiara Hansenne , Otfried Gühne , Hai-Chau Nguyen

Despite using a novel model of computation, quantum computers break down programs into elementary gates. Among such gates, entangling gates are the most expensive. In the context of fermionic simulations, we develop a suite of compilation…

Quantum Physics · Physics 2023-03-08 Qingfeng Wang , Ze-Pei Cian , Ming Li , Igor L. Markov , Yunseong Nam

Conservation of symmetries plays a crucial role in both classical and quantum simulations of many-body systems, enabling the tracking of states with specific symmetry properties and leading to substantial reductions in the number of…

Quantum Physics · Physics 2025-11-18 Ilias Magoulas , Francesco A. Evangelista

In the near future, material and drug design may be aided by quantum computer assisted simulations. These have the potential to target chemical systems intractable by the most powerful classical computers. However, the resources offered by…

We develop a hybrid qubit-qumode framework for simulating quantum electrodynamics in 2+1 dimensions. In this approach, fermionic matter fields are represented by qubits, while U(1) gauge fields are encoded in continuous-variable bosonic…

Quantum Physics · Physics 2025-11-27 Victor Ale , Tommaso Rainaldi , Enrique Rico , Felix Ringer , George Siopsis

We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and general-form potential energy surfaces expressed in a hybrid…

Quantum Physics · Physics 2026-04-07 Michał Szczepanik , Ákos Nagy , Emil Żak

We investigate the sample complexity of Hamiltonian simulation: how many copies of an unknown quantum state are required to simulate a Hamiltonian encoded by the density matrix of that state? We show that the procedure proposed by Lloyd,…

Quantum Physics · Physics 2017-06-20 Shelby Kimmel , Cedric Yen-Yu Lin , Guang Hao Low , Maris Ozols , Theodore J. Yoder

Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although…

Quantum Physics · Physics 2025-09-16 Jiaqi Leng , Joseph Li , Yuxiang Peng , Xiaodi Wu

Simulating strongly correlated fermionic systems is notoriously hard on classical computers. An alternative approach, as proposed by Feynman, is to use a quantum computer. Here, we discuss quantum simulation of strongly correlated fermionic…

Quantum Physics · Physics 2018-05-02 Zhang Jiang , Kevin J. Sung , Kostyantyn Kechedzhi , Vadim N. Smelyanskiy , Sergio Boixo

Quantum chemistry provides a target for quantum simulation of considerable scientific interest and industrial importance. The majority of algorithms to date have been based on a second-quantized representation of the electronic structure…

Quantum Physics · Physics 2013-12-17 Borzu Toloui , Peter J. Love

Many applications of quantum simulation require to prepare and then characterize quantum states by performing an efficient partial tomography to estimate observables corresponding to $k$-body reduced density matrices ($k$-RDMs). For…

Quantum Physics · Physics 2020-09-24 Xavier Bonet-Monroig , Ryan Babbush , Thomas E. O'Brien

Performing large-scale, accurate quantum simulations of many-fermion systems is a central challenge in quantum science, with applications in chemistry, materials, and high-energy physics. Despite significant progress, realizing generic…

Quantum Physics · Physics 2025-09-12 Nishad Maskara , Marcin Kalinowski , Daniel Gonzalez-Cuadra , Mikhail D. Lukin

Simulating quantum dynamics on classical computers is challenging for large systems due to the significant memory requirements. Simulation on quantum computers is a promising alternative, but fully optimizing quantum circuits to minimize…

Simulation of quantum systems promises to deliver physical and chemical predictions for the frontiers of technology. Unfortunately, the exact representation of these systems is plagued by the exponential growth of dimension with the number…

Chemical Physics · Physics 2016-02-05 Jarrod R. McClean , Alán Aspuru-Guzik