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We propose to use ultracold fermionic atoms in one-dimensional optical lattices to quantum simulate the electronic transport in quantum cascade laser (QCL) structures. The competition between the coherent tunneling among (and within) the…

Quantum simulations of molecular systems on quantum computers often employ minimal basis sets of Gaussian orbitals. In comparison with more realistic basis sets, quantum simulations employing minimal basis sets require fewer qubits and…

Quantum Physics · Physics 2022-08-17 Stefano Barison , Davide Emilio Galli , Mario Motta

Variational quantum eigensolver ans\"atze hold considerable promise for ground-state energy calculations on near-term quantum hardware, yet most promising ansatz designs currently strongly depend on how well the molecular orbital basis…

A widely used strategy to reduce the computational cost in quantum-chemical calculations is to partition the system into an active subsystem, which is the focus of the computational efforts and an environment that is treated at a lower…

Chemical Physics · Physics 2023-06-19 Elena Kolodzeiski , Christopher J. Stein

We propose a state-averaged orbital optimization scheme for improving the accuracy of excited states of the electronic structure Hamiltonian for use on near-term quantum computers. Instead of parameterizing the orbital rotation operator in…

Chemical Physics · Physics 2024-04-09 Joel Bierman , Yingzhou Li , Jianfeng Lu

This paper introduces Fermihedral, a compiler framework focusing on discovering the optimal Fermion-to-qubit encoding for targeted Fermionic Hamiltonians. Fermion-to-qubit encoding is a crucial step in harnessing quantum computing for…

Quantum Physics · Physics 2024-03-28 Yuhao Liu , Shize Che , Junyu Zhou , Yunong Shi , Gushu Li

Due to the limitations of present-day quantum hardware, it is especially critical to design algorithms that make the best possible use of available resources. When simulating quantum many-body systems on a quantum computer, straightforward…

Quantum Physics · Physics 2021-04-07 Olivia Di Matteo , Anna McCoy , Peter Gysbers , Takayuki Miyagi , R. M. Woloshyn , Petr Navrátil

Digital quantum simulation of electron-phonon systems requires truncating infinite phonon levels into $N$ basis states and then encoding them with qubit computational basis. Unary encoding and the more compact binary/Gray encoding are the…

Quantum Physics · Physics 2023-05-04 Weitang Li , Jiajun Ren , Sainan Huai , Tianqi Cai , Zhigang Shuai , Shengyu Zhang

Building on the established methods for superconducting circuit quantization, we present a new theoretical framework for approximate numerical simulation of Josephson quantum circuits. Simulations based on this framework provide access to a…

Quantum Physics · Physics 2020-12-17 Andrew J. Kerman

In the Noisy Intermediate-Scale Quantum (NISQ) era, solving the electronic structure problem from chemistry is considered as the "killer application" for near-term quantum devices. In spite of the success of variational hybrid…

Supersymmetric models are grounded in the intriguing concept of a hypothetical symmetry that relates bosonic and fermionic particles. This symmetry has profound implications, offering valuable extensions to the Standard Model of particle…

High Energy Physics - Lattice · Physics 2024-11-25 Emanuele Mendicelli , David Schaich

Quantum chemistry is a key target for quantum computing, but benchmarking quantum algorithms for large molecular systems remains challenging due to the lack of exactly solvable yet structurally realistic models. In particular, molecular…

Quantum Physics · Physics 2025-07-25 Ryota Kojima , Masahiko Kamoshita , Keita Kanno

Fermionic Linear Optics (FLO) is a restricted model of quantum computation which in its original form is known to be efficiently classically simulable. We show that, when initialized with suitable input states, FLO circuits can be used to…

Quantum Physics · Physics 2022-06-14 Michał Oszmaniec , Ninnat Dangniam , Mauro E. S. Morales , Zoltán Zimborás

Designing a qubit architecture is one of the most critical challenges in achieving scalable and fault-tolerant quantum computing as the performance of a quantum computer is heavily dependent on the coherence times, connectivity and low…

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

Quantum machine learning for spin and molecular systems faces critical challenges of scarce labeled data and computationally expensive simulations. To address these limitations, we introduce Hamiltonian-Masked Autoencoding (HMAE), a novel…

Quantum Physics · Physics 2025-10-29 Ibne Farabi Shihab , Sanjeda Akter , Anuj Sharma

Understanding which subclasses of quantum circuits are efficiently classically simulable is fundamental to delineating the boundary between classical and quantum computation. In this context, it is well known that certain tasks based on…

Quantum Physics · Physics 2026-03-16 Su Yeon Chang , Martin Larocca , M. Cerezo

Understanding complex chemical systems -- such as biomolecules, catalysts, and novel materials -- is a central goal of quantum simulations. Near-term strategies hinge on the use of variational quantum eigensolver (VQE) algorithms combined…

Quantum Physics · Physics 2023-08-02 Joshua Goings , Luning Zhao , Jacek Jakowski , Titus Morris , Raphael Pooser

We propose a method for the efficient quantum simulation of fermionic systems with superconducting circuits. It consists in the suitable use of Jordan-Wigner mapping, Trotter decomposition, and multiqubit gates, be with the use of a quantum…

Quantum Physics · Physics 2015-04-01 U. Las Heras , L. García-Álvarez , A. Mezzacapo , E. Solano , L. Lamata

There is a remarkable interest in the study of Out-of-time ordered correlators (OTOCs) that goes from many body theory and high energy physics to quantum chaos. In this latter case there is a special focus on the comparison with the…

Quantum Physics · Physics 2019-10-30 Pablo D. Bergamasco , Gabriel G. Carlo , Alejandro M. F. Rivas