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Demonstrating the practical utility of Noisy Intermediate-Scale Quantum (NISQ) hardware for recurrent tasks in Computer-Aided Drug Discovery is of paramount importance. We tackle this challenge by performing three-dimensional protein…

Quantum Physics · Physics 2025-12-12 Daniele Loco , Kisa Barkemeyer , Andre R. R. Carvalho , Jean-Philip Piquemal

Quantum computers have a potential for solving quantum chemistry problems with higher accuracy than classical computers. Quantum computing quantum Monte Carlo (QC-QMC) is a QMC with a trial state prepared in quantum circuit, which is…

Quantum Physics · Physics 2024-06-07 Shu Kanno , Hajime Nakamura , Takao Kobayashi , Shigeki Gocho , Miho Hatanaka , Naoki Yamamoto , Qi Gao

We introduce a Markov Chain Monte Carlo simulation and data analysis package for the cosmological computation package Cmbeasy. We have taken special care in implementing an adaptive step algorithm for the Markov Chain Monte Carlo in order…

Astrophysics · Physics 2007-05-23 Christian M. Mueller

The problem of simulating the thermal behavior of quantum systems remains a central open challenge in quantum computing. Unlike well-established quantum algorithms for unitary dynamics, \emph{provably efficient} algorithms for preparing…

Quantum Physics · Physics 2026-05-14 Dominik Hahn , Ryan Sweke , Abhinav Deshpande , Oles Shtanko

The use of mid-circuit measurement and qubit reset within quantum programs has been introduced recently and several applications demonstrated that perform conditional branching based on these measurements. In this work, we go a step further…

NISQ devices have several physical limitations and unavoidable noisy quantum operations, and only small circuits can be executed on a quantum machine to get reliable results. This leads to the quantum hardware under-utilization issue. Here,…

Hardware Architecture · Computer Science 2023-02-22 Siyuan Niu , Aida Todri-Sanial

Quantum computers are becoming a reality and numerous quantum computing applications with a near-term perspective (e.g., for finance, chemistry, machine learning, and optimization) and with a long-term perspective (e.g., for cryptography or…

$\textbf{scqubits}$ is an open-source Python package for simulating and analyzing superconducting circuits. It provides convenient routines to obtain energy spectra of common superconducting qubits, such as the transmon, fluxonium, flux,…

Quantum Physics · Physics 2021-11-24 Peter Groszkowski , Jens Koch

TEMPO (Time-dependent Evolution of Multiple Pulse Operations) offers accessible and efficient simulations of pulse sequences in Python, using the suite of master equation solvers available in the Quantum Toolbox in Python (QuTiP). It…

Quantum Physics · Physics 2025-02-18 Jner Tzern Oon , Sonja A. Hakala , George A. Witt , Ronald Walsworth

Arrays of Rydberg atoms are a powerful platform to realize strongly-interacting quantum many-body systems. A common Rydberg Hamiltonian is free of the sign problem, meaning that its equilibrium properties are amenable to efficient…

Strongly Correlated Electrons · Physics 2023-07-20 Ejaaz Merali , Isaac J. S. De Vlugt , Roger G. Melko

A careful study of the classical/quantum connection with the aid of coherent states offers new insights into various technical problems. This analysis includes both canonical as well as closely related affine quantization procedures. The…

High Energy Physics - Theory · Physics 2015-06-12 John R. Klauder

A previously-developed hybrid particle-continuum method [J. B. Bell, A. Garcia and S. A. Williams, SIAM Multiscale Modeling and Simulation, 6:1256-1280, 2008] is generalized to dense fluids and two and three dimensional flows. The scheme…

Soft Condensed Matter · Physics 2009-10-22 A. Donev , J. B. Bell , A. L. Garcia , B. J. Alder

Building on the success of Quantum Monte Carlo techniques such as diffusion Monte Carlo, alternative stochastic approaches to solve electronic structure problems have emerged over the last decade. The full configuration interaction quantum…

We explore the possibility of modifying the multiplicity of the basic cluster in the entropy functional used in the cluster variation method so that truncation errors owing to finite size of the basic cluster may be corrected. The numerical…

Materials Science · Physics 2011-05-04 Vikas Jindal , Shrikant Lele

Hybrid quantum-classical (HQC) algorithms make it possible to use near-term quantum devices supported by classical computational resources by useful control schemes. In this paper, we develop an HQC algorithm using an efficient variational…

Quantum Physics · Physics 2020-08-13 Mahmoud Mahdian , H. Davoodi Yeganeh

We describe a new hybrid N-body/hydrodynamical code based on the particle-mesh (PM) method and the piecewise-parabolic method (PPM) for use in solving problems related to the evolution of large-scale structure, galaxy clusters, and…

Astrophysics · Physics 2009-10-31 P. M. Ricker , S. Dodelson , D. Q. Lamb

Quantum computing (QC) is expected to solve incredibly difficult problems, including finding optimal solutions to combinatorial optimization problems. However, to date, QC alone is still far to demonstrate this capability except on…

Emerging Technologies · Computer Science 2025-12-19 James B. Holliday , Eneko Osaba , Khoa Luu

We develop a diagrammatic Monte Carlo method for the real-time dynamics of dissipative quantum impurity models. These are small open quantum systems with interaction and local Markovian dissipation, coupled to a large quantum bath. Our…

Strongly Correlated Electrons · Physics 2024-03-26 Matthieu Vanhoecke , Marco Schirò

We explore the potential for hybrid development of quantum hardware where currently available quantum computers simulate open Cavity Quantum Electrodynamical (CQED) systems for applications in optical quantum communication, simulation and…

Hybrid-VPIC is an extension of the open-source high-performance particle-in-cell (PIC) code VPIC incorporating hybrid kinetic ion/fluid electron solvers. This paper describes the models that are available in the code and gives an overview…

Plasma Physics · Physics 2023-06-14 Ari Le , Adam Stanier , Lin Yin , Blake Wetherton , Brett Keenan , Brian Albright