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Structure-based virtual screening must address a combinatorial explosion arising from up to 10^60 drug-like molecules, multiple conformations of proteins and ligands, and all possible spatial translations and rotations of ligands within the…

Quantum Physics · Physics 2025-05-14 Pei-Kun Yang

Quantum machine learning algorithms, the extensions of machine learning to quantum regimes, are believed to be more powerful as they leverage the power of quantum properties. Quantum machine learning methods have been employed to solve…

Computational Physics · Physics 2021-06-01 Shree Hari Sureshbabu , Manas Sajjan , Sangchul Oh , Sabre Kais

We introduce two kinds of quantum algorithms to explore microcanonical and canonical properties of many-body systems. The first one is a hybrid quantum algorithm that, given an efficiently preparable state, computes expectation values in a…

Quantum Physics · Physics 2021-05-19 Sirui Lu , Mari Carmen Bañuls , J. Ignacio Cirac

In quantum chemistry calculations, the correlation energy is defined as the difference between the Hartree-Fock limit energy and the exact solution of the nonrelativistic Schrodinger equation. With this definition, the electron correlation…

Quantum Physics · Physics 2009-11-11 Zhen Huang , Sabre Kais

Collider experiments offer a unique opportunity to explore the Standard Model (SM), and to search for new physics, new interactions, and new principles of nature. The theoretical abstraction of a collider, namely the study of correlations…

High Energy Physics - Phenomenology · Physics 2025-06-12 Ian Moult , Hua Xing Zhu

Efficient sampling from ensembles of Hamiltonian cycles is critical for predicting the thermodynamic properties of compact polymers, with applications including modeling protein and RNA folding and designing soft materials. Although…

Quantum Physics · Physics 2026-03-16 Davide Rattacaso , Daniel Jaschke , Antonio Trovato , Ilaria Siloi , Simone Montangero

In recent years, energy correlators have emerged as a powerful tool for studying jet substructure, with promising applications such as probing the hadronization transition, analyzing the quark-gluon plasma, and improving the precision of…

High Energy Physics - Phenomenology · Physics 2025-01-07 Ankita Budhraja , Hao Chen , Wouter J. Waalewijn

The properties of strongly-coupled lattice gauge theories at finite density as well as in real time have largely eluded first-principles studies on the lattice. This is due to the failure of importance sampling for systems with a complex…

High Energy Physics - Lattice · Physics 2025-08-20 Michael Fromm , Owe Philipsen , Michael Spannowsky , Christopher Winterowd

Methods for calculating lower bounds to the exact energy using the variance of the upper bound energy are discussed and explored. All the matrix elements of the Hamiltonian squared are collected and considered, and those for which no known…

Quantum Physics · Physics 2021-07-09 Robbie Thomson Ireland

Protein folding processes are a vital aspect of molecular biology that is hard to simulate with conventional computers. Quantum algorithms have been proven superior for certain problems and may help tackle this complex life science…

Quantum Physics · Physics 2024-09-11 Hanna Linn , Isak Brundin , Laura García-Álvarez , Göran Johansson

We explore the potential application of quantum computers to the examination of lattice holography, which extends to the strongly-coupled bulk theory regime. With adiabatic evolution, we compute the ground state of a spin system on a…

High Energy Physics - Lattice · Physics 2023-12-19 Ying-Ying Li , Muhammad Omer Sajid , Judah Unmuth-Yockey

We consider the strong coupling limit of lattice QCD with massless staggered quarks and study the resource requirements for quantum simulating the theory in its Hamiltonian formulation. The bosonic Hilbert space of the color-singlet degrees…

High Energy Physics - Lattice · Physics 2025-08-20 Michael Fromm , Lucas Katschke , Owe Philipsen , Wolfgang Unger

We calculate Euclidean correlation functions through next-to-leading order in the low energy effective theory of gravity. We focus on correlation functions of curvature and volume operators, calculating these functions through one-loop…

High Energy Physics - Theory · Physics 2025-10-15 Jack Laiho , Kenny Ratliff

Quantum Krylov subspace diagonalization (QKSD) algorithms provide a low-cost alternative to the conventional quantum phase estimation algorithm for estimating the ground and excited-state energies of a quantum many-body system. While QKSD…

Quantum Physics · Physics 2022-02-23 Cristian L. Cortes , Stephen K. Gray

Quantum simulations of High Energy Physics, and especially of gauge theories, is an emerging and exciting direction in quantum simulations. However, simulations of such theories, compared to simulations of condensed matter physics, must…

Quantum Physics · Physics 2013-08-29 Erez Zohar , J. Ignacio Cirac , Benni Reznik

A pivotal task for quantum computing is to speed up solving problems that are both classically intractable and practically valuable. Among these, combinatorial optimization problems have attracted tremendous attention due to their broad…

Quantum Hamiltonian Computing is a recent approach that uses quantum systems, in particular a single molecule, to perform computational tasks. Within this approach, we present explicit methods to construct logic gates using two different…

Quantum Physics · Physics 2019-06-18 Omid Faizy Namarvar , Olivier Giraud , Bertrand Georgeot , Christian Joachim

Lattice field theory, along with its algorithmic and hardware ecosystems, has been at the forefront of computational particle and nuclear physics. It continues to deliver impressive results on the hadronic spectrum, structure, decays, and…

High Energy Physics - Lattice · Physics 2026-05-21 Zohreh Davoudi

Parity-time ($PT$)-symmetric Hamiltonians exhibit non-unitary dynamical evolution while maintaining real spectra, and offer unique approaches to quantum sensing and entanglement generation. Here we present a method for simulating the…

Quantum Physics · Physics 2026-01-15 Maryam Abbasi , Koray Aydogan , Anthony W. Schlimgen , Kade Head-Marsden

We report a quantum simulation of the deuteron binding energy on quantum processors accessed via cloud servers. We use a Hamiltonian from pionless effective field theory at leading order. We design a low-depth version of the unitary…

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