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Quantum computation is one of the most promising new paradigms for the simulation of physical systems composed of electrons and atomic nuclei, with applications in chemistry, solid-state physics, materials science, and molecular biology.…

Quantum Physics · Physics 2024-11-05 Jakob Günther , Alberto Baiardi , Markus Reiher , Matthias Christandl

Quantum simulation is a foundational application for quantum computers, projected to offer insights into complex quantum systems beyond the reach of classical computation. However, with the exception of Trotter-based methods, which suffer…

Quantum Physics · Physics 2026-02-10 Amir Kalev , Itay Hen

Quantum computing opens up new possibilities for the simulation of many-body nuclear systems. As the number of particles in a many-body system increases, the size of the space if the associated Hamiltonian increases exponentially. This…

Quantum Physics · Physics 2022-09-19 Isaac Hobday , Paul Stevenson , James Benstead

The quasi-SU(3) symmetry, as found in shell model calculations, refers to the dominance of the single particle plus quadrupole-quadrupole terms in the Hamiltonian used to describe well deformed nuclei, and to the subspace relevant in its…

Nuclear Theory · Physics 2007-05-23 C. E. Vargas , J. G. Hirsch , J. P. Draayer

Quantum computing is being extensively used in quantum chemistry, especially in simulating simple molecules and evaluating properties like the ground state energy, dipole moment, etc. The transformation of a molecular Hamiltonian from the…

Quantum Physics · Physics 2024-01-18 Harshdeep Singh , Sabyashachi Mishra , Sonjoy Majumder

Quantum computers can efficiently simulate highly entangled quantum systems, offering a solution to challenges facing classical simulation of Quantum Field Theories (QFTs). This paper presents an alternative to traditional methods for…

Quantum Physics · Physics 2025-09-03 James Ingoldby , Michael Spannowsky , Timur Sypchenko , Simon Williams

With a view toward addressing the explosive growth in the computational demands of nuclear structure and reactions modeling, we develop a novel quantum algorithm for neutron-nucleus simulations with general potentials, which provides…

Quantum Physics · Physics 2026-03-17 Soorya Rethinasamy , Ethan Guo , Alexander Wei , Mark M. Wilde , Kristina D. Launey

Quantum computing is emerging as a promising tool in nuclear physics. However, the cost of encoding fermionic operators hampers the application of algorithms in current noisy quantum devices. In this work, we analyze an encoding scheme…

Brillouin-Wigner (BW) perturbation theory is developed for both ground and excited states of open-shell nuclei. We show that with optimal partitioning of the many-body Hamiltonian proposed earlier by the authors [Z. Li and N. Smirnova,…

Nuclear Theory · Physics 2024-01-24 Zhen Li , Nadezda A. Smirnova

Digital quantum simulation has broad applications in approximating unitary evolution of Hamiltonians. In practice, many simulation tasks for quantum systems focus on quantum states in the low-energy subspace instead of the entire Hilbert…

Quantum Physics · Physics 2024-07-16 Weiyuan Gong , Shuo Zhou , Tongyang Li

Although a universal quantum computer is still far from reach, the tremendous advances in controllable quantum devices, in particular with solid-state systems, make it possible to physically implement "quantum simulators". Quantum…

Quantum Physics · Physics 2016-06-08 Zhixin Wang , Xiu Gu , Lian-Ao Wu , Yu-xi Liu

A common technique in the study of complex quantum-mechanical systems is to reduce the number of degrees of freedom in the Hamiltonian by using quasi-degenerate perturbation theory. While the Schrieffer--Wolff transformation achieves this…

Quantum Physics · Physics 2025-02-19 Isidora Araya Day , Sebastian Miles , Hugo K. Kerstens , Daniel Varjas , Anton R. Akhmerov

Modeling non-Hermitian Hamiltonians is increasingly important in classical and quantum domains, especially when studying open systems, $PT$ symmetry, and resonances. However, the quantum simulation of these models has been limited by the…

Quantum Physics · Physics 2025-02-20 Anastashia Jebraeilli , Michael R. Geller

Model calculations of nuclear properties are peformed using quantum computing algorithms on simulated and real quantum computers. The models are a realistic calculation of deuteron binding based on effective field theory, and a simplified…

Nuclear Theory · Physics 2022-05-12 Isaac Hobday , Paul D Stevenson , James Benstead

We introduce a quantum information theory-inspired method to improve the characterization of many-body Hamiltonians on near-term quantum devices. We design a new class of similarity transformations that, when applied as a preprocessing…

Quantum Physics · Physics 2024-07-24 Andi Gu , Hong-Ye Hu , Di Luo , Taylor L. Patti , Nicholas C. Rubin , Susanne F. Yelin

Recently, we have theoretically proposed and experimentally demonstrated an exact and efficient quantum simulation of photosynthetic light harvesting in nuclear magnetic resonance (NMR), cf. B. X. Wang, \textit{et al.} npj Quantum…

Quantum chemistry and materials science are among the most promising areas for demonstrating algorithmic quantum advantage and quantum utility due to their inherent quantum mechanical nature. Still, large-scale simulations of quantum…

Over the last century, a large number of physical and mathematical developments paired with rapidly advancing technology have allowed the field of quantum chemistry to advance dramatically. However, the lack of computationally efficient…

Quantum Physics · Physics 2011-03-08 James D. Whitfield , Jacob Biamonte , Alán Aspuru-Guzik

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 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
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