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A new concept of the molecular structure optimization method based on quantum dynamics computations is presented. Nuclei are treated as quantum mechanical particles, as are electrons, and the many-body wave function of the system is…

We present a novel method to simulate the Lindblad equation, drawing on the relationship between Lindblad dynamics, stochastic differential equations, and Hamiltonian simulations. We derive a sequence of unitary dynamics in an enlarged…

Quantum Physics · Physics 2024-08-27 Zhiyan Ding , Xiantao Li , Lin Lin

We introduce a variational Monte Carlo framework that combines neural-network quantum states with the Lorentz integral transform technique to compute the dynamical properties of self-bound quantum many-body systems in continuous Hilbert…

Nuclear Theory · Physics 2025-04-30 Elad Parnes , Nir Barnea , Giuseppe Carleo , Alessandro Lovato , Noemi Rocco , Xilin Zhang

To perform efficient many-body calculations in the framework of the exact diagonalization of the Hamiltonian one needs an appropriately tailored Fock basis built from the single-particle orbitals. The simplest way to compose the basis is to…

Computational Physics · Physics 2019-10-22 Andrzej Chrostowski , Tomasz Sowiński

Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…

Other Condensed Matter · Physics 2010-08-16 Michal Bajdich , Lubos Mitas

Learning dynamical systems through purely data-driven methods is challenging as they do not learn the underlying conservation laws that enable them to correctly generalize. Existing port-Hamiltonian neural network methods have recently been…

Machine Learning · Computer Science 2026-02-18 Maximino Linares , Guillaume Doras , Thomas Hélie

This paper builds on our earlier proposal for construction of a positive inner product for pseudo-Hermitian Hamiltonians and we give several examples to clarify our method. We show through the example of the harmonic oscillator how our…

Quantum Physics · Physics 2011-04-07 Ashok Das , L. Greenwood

We propose that neuromorphic computing can perform quantum operations. Spiking neurons in the active or silent states are connected to the two states of Ising spins. A quantum density matrix is constructed from the expectation values and…

Disordered Systems and Neural Networks · Physics 2021-03-31 Christian Pehle , Christof Wetterich

Quantum simulation algorithms often require numerous ancilla qubits and deep circuits, prohibitive for near-term hardware. We introduce a framework for simulating quantum channels using ensembles of low-depth circuits in place of many-qubit…

Quantum Physics · Physics 2024-08-01 Joseph Peetz , Scott E. Smart , Prineha Narang

One-neutron halo nuclei, composed by a weakly-bound particle coupled to a core nucleus, are studied within a particle-plus-core model. A semi-microscopic method to generate the two-body Hamiltonian of such a system, including core…

Nuclear Theory · Physics 2014-02-20 J. A. Lay , A. M. Moro , J. M. Arias , Y. Kanada-En'yo

We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…

Chemical Physics · Physics 2025-06-24 Tomoya Shiota , Klaas Gunst , Toshio Mori , Toru Shiozaki , Wataru Mizukami

Natural frequencies and normal modes are basic properties of a structure which play important roles in analyses of its vibrational characteristics. As their computation reduces to solving eigenvalue problems, it is a natural arena for…

Quantum Physics · Physics 2023-08-29 Yasunori Lee , Keita Kanno

Building on recent advances in quantum algorithms which measure and reuse qubits and in efficient classical simulation leveraging projective measurements, we extend these frameworks to real-time dynamics of quantum many-body systems…

Quantum Physics · Physics 2025-12-08 Bo Xiao , Benedikt Kloss , E. Miles Stoudenmire

Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry, and materials science. While the majority of…

Quantum Physics · Physics 2022-10-03 Paul K. Faehrmann , Mark Steudtner , Richard Kueng , Maria Kieferova , Jens Eisert

Recently developed quantum algorithms suggest that quantum computers can solve certain problems and perform certain tasks more efficiently than conventional computers. Among other reasons, this is due to the possibility of creating…

Quantum Physics · Physics 2007-05-23 Rolando D. Somma

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

A common situation in quantum many-body physics is that the underlying theories are known but too complicated to solve efficiently. In such cases one usually builds simpler effective theories as low-energy or large-scale alternatives to the…

Quantum Physics · Physics 2023-09-07 Yongdan Yang , Zongkang Zhang , Xiaosi Xu , Bing-Nan Lu , Ying Li

We demonstrate quantum simulations of strongly correlated nuclear many-body systems on the RIKEN-Quantinuum Reimei trapped-ion quantum computer, targeting ground states of oxygen, calcium, and nickel isotopes. By combining a hard-core-boson…

Nuclear Theory · Physics 2026-02-10 Sota Yoshida , Takeshi Sato , Takumi Ogata , Masaaki Kimura

The utility of effective model spaces in quantum simulations of non-relativistic quantum many-body systems is explored in the context of the Lipkin-Meshkov-Glick model of interacting fermions. We introduce an iterative…

Quantum Physics · Physics 2023-08-25 Caroline E. P. Robin , Martin J. Savage

We derive the effective Hamiltonian $H - \mu N$ for open quantum systems with varying particle number from first principles within the framework of non-relativistic quantum statistical mechanics. We prove that under physically motivated…

Mathematical Physics · Physics 2026-02-26 Benedikt M. Reible , Luigi Delle Site