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Variational Quantum Eigensolver (VQE) provides a lucrative platform to determine molecular energetics in near-term quantum devices. While the VQE is traditionally tailored to determine the ground state wavefunction with the underlying…

Quantum Physics · Physics 2023-08-22 Dibyendu Mondal , Rahul Maitra

Variational Monte Carlo (VMC) combined with expressive neural network wavefunctions has become a powerful route to high-accuracy ground-state calculations, yet its practical success hinges on efficient and stable wavefunction optimization.…

Optimization and Control · Mathematics 2026-04-21 Yuyang Wang , Xin Liu

Accurate numerical solution of the five-body Schrodinger equation is effected via variational Monte Carlo in a correlated quark model. The spectrum is assumed to exhibit a narrow resonance with strangeness S=+1. A fully antisymmetrized and…

Nuclear Theory · Physics 2014-11-18 Mark W. Paris

We introduce a novel method of efficiently simulating the non-equilibrium steady state of large many-body open quantum systems with highly non-local interactions, based on a variational Monte Carlo optimization of a matrix product operator…

Quantum Physics · Physics 2024-09-18 Dawid A. Hryniuk , Marzena H. Szymańska

Multipartite quantum states saturating the Heisenberg limit of sensitivity typically require full-body correlators to be prepared. On the other hand, experimentally practical Hamiltonians often involve few-body correlators only. Here, we…

Quantum Physics · Physics 2025-12-03 Majid Hassani , Mengyao Hu , Guillem Müller-Rigat , Matteo Fadel , Jordi Tura

We employ a generalized variational principle to improve the stability, reliability, and precision of fully excited-state-specific complete active space self-consistent field theory. Compared to previous approaches that similarly seek to…

Chemical Physics · Physics 2022-09-05 Rebecca Hanscam , Eric Neuscamman

We introduce a stochastic analysis of Grassmann random variables suitable for the stochastic quantization of Euclidean fermionic quantum field theories. Analysis on Grassmann algebras is developed here from the point of view of quantum…

Probability · Mathematics 2022-02-02 Sergio Albeverio , Luigi Borasi , Francesco C. De Vecchi , Massimiliano Gubinelli

We develop a variational principle to determine the quantum controls and initial state which optimizes the quantum Fisher information, the quantity characterizing the precision in quantum metrology. When the set of available controls is…

Quantum Physics · Physics 2022-04-27 Jing Yang , Shengshi Pang , Zekai Chen , Andrew N. Jordan , Adolfo del Campo

Neural networks have been recently proposed as variational wave functions for quantum many-body systems [G. Carleo and M. Troyer, Science 355, 602 (2017)]. In this work, we focus on a specific architecture, known as Restricted Boltzmann…

Strongly Correlated Electrons · Physics 2022-05-25 Luciano Loris Viteritti , Francesco Ferrari , Federico Becca

Representing a target quantum state by a compact, efficient variational wave-function is an important approach to the quantum many-body problem. In this approach, the main challenges include the design of a suitable variational ansatz and…

Strongly Correlated Electrons · Physics 2018-12-03 Dmitrii Kochkov , Bryan K. Clark

A quantum Monte Carlo method is presented for determining multi-determinantal Jastrow-Slater wave functions for which the energy is stationary with respect to the simultaneous optimization of orbitals and configuration interaction…

Other Condensed Matter · Physics 2009-11-10 Friedemann Schautz , Claudia Filippi

The famous, yet unsolved, Fermi-Hubbard model for strongly-correlated electronic systems is a prominent target for quantum computers. However, accurately representing the Fermi-Hubbard ground state for large instances may be beyond the…

We address an old problem in lattice gauge theory - the computation of the spectrum and wave functions of excited states. Our method is based on the Hamiltonian formulation of lattice gauge theory. As strategy, we propose to construct a…

High Energy Physics - Lattice · Physics 2015-05-27 A. Hosseinizadeh , G. Melkonyan , H. Kröger , M. McBreen , N. Scheu

Excited states of many-body quantum systems play a key role in a wide range of physical and chemical phenomena. Unlike ground states, for which many efficient variational techniques exist, there are few ways to systematically construct…

Quantum Physics · Physics 2025-08-04 D. A. Millar , L. W. Anderson , E. Altamura , O. Wallis , M. E. Sahin , J. Crain , S. J. Thomson

We propose a quantum algorithm, inspired by ADAPT-VQE, to variationally prepare the ground state of a quantum Hamiltonian, with the desirable property that if it fails to find the ground state, it still yields a physically meaningful…

Quantum Physics · Physics 2025-05-16 Shuchen Zhu , Yu Tong

We present a new variational method for investigating the ground state and out of equilibrium dynamics of quantum many-body bosonic and fermionic systems. Our approach is based on constructing variational wavefunctions which extend Gaussian…

Quantum Physics · Physics 2018-03-14 Tao Shi , Eugene Demler , J. Ignacio Cirac

Solving the quantum many-body Schr\"odinger equation is a fundamental and challenging problem in the fields of quantum physics, quantum chemistry, and material sciences. One of the common computational approaches to this problem is Quantum…

Computational Physics · Physics 2023-11-03 Kirill Neklyudov , Jannes Nys , Luca Thiede , Juan Carrasquilla , Qiang Liu , Max Welling , Alireza Makhzani

Simulating strongly correlated fermionic systems remains a fundamental challenge in quantum physics, largely due to the sign problem in quantum Monte Carlo (QMC) methods. We present a neural network-based variational Monte Carlo (NN-VMC)…

Computational Physics · Physics 2025-09-09 William Freitas , B. Abreu , S. A. Vitiello

These lecture notes introduce quantum spin systems and several computational methods for studying their ground-state and finite-temperature properties. Symmetry-breaking and critical phenomena are first discussed in the simpler setting of…

Strongly Correlated Electrons · Physics 2015-03-17 Anders W. Sandvik

The two-dimensional Hubbard model is studied using the variational quantum Monte Carlo technique with Gutzwiller-type variational wave functions. In addition to the simple one-site correlated Gutzwiller wave function, we use a form with…

Strongly Correlated Electrons · Physics 2007-05-23 A. Harju