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In recent years, there is a growing interest in using quantum computers for solving combinatorial optimization problems. In this work, we developed a generic, machine learning-based framework for mapping continuous-space inverse design…

Methods for electronic structure based on Gaussian and molecular orbital discretizations offer a well established, compact representation that forms much of the foundation of correlated quantum chemistry calculations on both classical and…

A key objective of computational solid state physics is to predict electronic properties of periodic materials. However, electronic structure simulations based on density functional theory fail to predict experimental results if…

Integer factorization has been one of the cornerstone applications of the field of quantum computing since the discovery of an efficient algorithm for factoring by Peter Shor. Unfortunately, factoring via Shor's algorithm is well beyond the…

Quantum Physics · Physics 2018-08-28 Eric R. Anschuetz , Jonathan P. Olson , Alán Aspuru-Guzik , Yudong Cao

We present a formulation of the Hamiltonian variational method for QED which enables the derivation of relativistic few-fermion wave equation that can account, at least in principle, for interactions to any order of the coupling constant.…

High Energy Physics - Theory · Physics 2009-11-11 Andrei G. Terekidi , Jurij W. Darewych , Marko Horbatsch

Quantum annealing is a quantum algorithm to solve combinatorial optimization problems. In the current quantum annealing devices, the dynamic range of the input Ising Hamiltonian, defined as the ratio of the largest to the smallest…

Quantum Physics · Physics 2026-04-07 Kentaro Ohno , Nozomu Togawa

The complex Fourier transform of the two-point correlator of the energy spectrum of a quantum system is known as the spectral form factor (SFF). It constitutes an essential diagnostic tool for phases of matter and quantum chaos. In black…

Quantum Physics · Physics 2023-12-05 Apollonas S. Matsoukas-Roubeas , Mathieu Beau , Lea F. Santos , Adolfo del Campo

Dynamical electronic- and vibrational-structure theories have received a growing interest in the last years due to their ability to simulate spectra recorded with ultrafast experimental techniques. The exact time evolution of a molecular…

Computational Physics · Physics 2020-02-18 Alberto Baiardi , Markus Reiher

The simulation of quantum dynamics calls for quantum algorithms working in first quantized grid encodings. Here, we propose a variational quantum algorithm for performing quantum dynamics in first quantization. In addition to the usual…

We present a quantum computational framework using Hamiltonian Truncation (HT) for simulating real-time scattering processes in $(1+1)$-dimensional scalar $\phi^4$ theory. Unlike traditional lattice discretisation methods, HT approximates…

Quantum Physics · Physics 2025-05-08 James Ingoldby , Michael Spannowsky , Timur Sypchenko , Simon Williams , Matthew Wingate

The Quantum Fisher Information matrix (QFIM) is a central metric in promising algorithms, such as Quantum Natural Gradient Descent and Variational Quantum Imaginary Time Evolution. Computing the full QFIM for a model with $d$ parameters,…

Quantum Physics · Physics 2021-10-20 Julien Gacon , Christa Zoufal , Giuseppe Carleo , Stefan Woerner

We describe a novel iterative strategy for Kohn-Sham density functional theory calculations aimed at large systems (> 1000 electrons), applicable to metals and insulators alike. In lieu of explicit diagonalization of the Kohn-Sham…

Computational Physics · Physics 2018-02-22 Amartya S. Banerjee , Lin Lin , Phanish Suryanarayana , Chao Yang , John E. Pask

Exact diagonalization is a powerful numerical method to study isolated quantum many-body systems. This paper provides a review of numerical algorithms to diagonalize the Hamiltonian matrix. Symmetry and the conservation law help us perform…

Statistical Mechanics · Physics 2020-04-29 Jung-Hoon Jung , Jae Dong Noh

Fourier Holographic Reduced Representations (FHRR) provide a compositional framework for encoding structured information with complex-valued hypervectors. FHRR rely on floating-point arithmetic, which limits their efficiency and…

Computational Physics · Physics 2026-04-30 Shay Snyder , Hamed Poursiami , Maryam Parsa

Solving the electronic structure problem via unitary evolution of the electronic Hamiltonian is one of the promising applications of digital quantum computers. One of the practical strategies to implement the unitary evolution is via…

Quantum Physics · Physics 2023-08-23 Luis A. Martínez-Martínez , Tzu-Ching Yen , Artur F. Izmaylov

We introduce a type of quantum dissipation -- local quantum friction -- by adding to the Hamiltonian a local potential that breaks time-reversal invariance so as to cool the system. Unlike the Kossakowski-Lindblad master equation, local…

Nuclear Theory · Physics 2013-05-30 Aurel Bulgac , Michael McNeil Forbes , Kenneth J. Roche , Gabriel Wlazłowski

In this paper, Thermofield Dynamics (TFD) is applied to map a quantum optics nonlinear master equation into a Schrodinger-like equation for any arbitrary initial condition. This formalism provides a more efficient way for solving open…

Quantum Physics · Physics 2025-12-16 Urjjarani Patel , KVS Shiv Chaitanya

The fractional Fourier transform (FrFT), a fundamental operation in physics that corresponds to a rotation of phase space by any angle, is also an indispensable tool employed in digital signal processing for noise reduction. Processing of…

Hamiltonian learning is crucial to the certification of quantum devices and quantum simulators. In this paper, we propose a hybrid quantum-classical Hamiltonian learning algorithm to find the coefficients of the Pauli operator components of…

Quantum Physics · Physics 2023-10-16 Youle Wang , Guangxi Li , Xin Wang

Hamiltonian simulation is a domain where quantum computers have the potential to outperform their classical counterparts. One of the main challenges of such quantum algorithms is increasing the system size, which is necessary to achieve…

Quantum Physics · Physics 2025-02-07 Erenay Karacan , Yanbin Chen , Christian B. Mendl