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Quantum Hamiltonian identification is important for characterizing the dynamics of quantum systems, calibrating quantum devices and achieving precise quantum control. In this paper, an effective two-step optimization (TSO) quantum…

Quantum Physics · Physics 2018-06-05 Yuanlong Wang , Daoyi Dong , Bo Qi , Jun Zhang , Ian R. Petersen , Hidehiro Yonezawa

For many-body methods such as MCSCF and CASSCF, in which the number of one-electron orbitals are optimized and independent of basis set used, there are no problems with using plane-wave basis sets. However, for methods currently used in…

Computational Physics · Physics 2020-09-02 Eric J. Bylaska , Duo Song , Nicholas P. Bauman , Karol Kowalski , Daniel Claudino , Travis S. Humble

Learning the Hamiltonian underlying a quantum many-body system in thermal equilibrium is a fundamental task in quantum learning theory and experimental sciences. To learn the Gibbs state of local Hamiltonians at any inverse temperature…

Quantum Physics · Physics 2025-04-04 Chi-Fang Chen , Anurag Anshu , Quynh T. Nguyen

Quantum many-body scars (QMBS) have attracted considerable interest due to their role in weak ergodicity breaking in many-body systems. We present a general construction that embeds stabilizer states as QMBS of local Hamiltonians. The…

Quantum Physics · Physics 2026-01-19 Shane Dooley

Given a tensor network state, how can we determine conserved operators (including Hamiltonians) for which the state is an eigenstate? We answer this question by presenting a method to extract geometrically $k$-local conserved operators that…

Quantum Physics · Physics 2026-04-15 Wen-Tao Xu , Miguel Frías Pérez , Mingru Yang

We present an exact spin-elimination technique that reduces the dimensionality of both quadratic and k-local Ising Hamiltonians while preserving their original ground-state configurations. By systematically replacing each removed spin with…

Quantum Physics · Physics 2025-05-13 Natalia G. Berloff

We provide evidence that randomized low-rank factorization is a powerful tool for the determination of the ground state properties of low-dimensional lattice Hamiltonians through tensor network techniques. In particular, we show that…

The ground state energy and the free energy of Quantum Local Hamiltonians are fundamental quantities in quantum many-body physics, however, it is QMA-Hard to estimate them in general. In this paper, we develop new techniques to find…

Quantum Physics · Physics 2023-08-08 Thiago Bergamaschi

The recently proposed excitonic renormalization framework presents an alternative ansatz to elec- tronic structure theory of weakly interacting fragments. It makes use of absolutely localized orbitals and correlated states evaluated on…

Chemical Physics · Physics 2025-08-01 Marco Bauer , Patrick Norman , Andreas Dreuw , Anthony D. Dutoi

Tensor-network Born machines (TNBMs) are quantum-inspired generative models for learning data distributions. Using tensor-network contraction and optimization techniques, the model learns an efficient representation of the target…

Machine Learning · Computer Science 2025-05-07 Matan Ben-Dov , Jing Chen

Simulating quantum many-body systems (QMBS) is one of the long-standing, highly non-trivial challenges in condensed matter physics and quantum information due to the exponentially growing size of the system's Hilbert space. To date, tensor…

Quantum Physics · Physics 2026-02-06 Belal Abouraya , Jirawat Saiphet , Fedor Jelezko , Ressa S. Said

We consider a family of tensor network states defined on regular lattices that come with a natural definition of an adiabatic path to prepare them. This family comprises relevant classes of states, such as injective Matrix Product and…

Quantum Physics · Physics 2022-06-23 Esther Cruz , Flavio Baccari , Jordi Tura , Norbert Schuch , J. Ignacio Cirac

Variational quantum eigensolver (VQE), which attracts attention as a promising application of noisy intermediate-scale quantum devices, finds a ground state of a given Hamiltonian by variationally optimizing the parameters of quantum…

Quantum Physics · Physics 2022-05-12 Fumiyoshi Kobayashi , Kosuke Mitarai , Keisuke Fujii

Neural network approaches to approximate the ground state of quantum hamiltonians require the numerical solution of a highly nonlinear optimization problem. We introduce a statistical learning approach that makes the optimization trivial by…

Quantum Physics · Physics 2023-08-30 Clemens Giuliani , Filippo Vicentini , Riccardo Rossi , Giuseppe Carleo

We discuss efficient methods to optimize the metrological performance over local Hamiltonians in a bipartite quantum system. For a given quantum state, our methods find the best local Hamiltonian for which the state outperforms separable…

Quantum Physics · Physics 2026-05-25 Árpád Lukács , Róbert Trényi , Tamás Vértesi , Géza Tóth

Hamiltonian simulation, i.e., simulating the real time evolution of a target quantum system, is a natural application of quantum computing. Trotter-Suzuki splitting methods can generate corresponding quantum circuits; however, a faithful…

Quantum Physics · Physics 2024-03-21 Ayse Kotil , Rahul Banerjee , Qunsheng Huang , Christian B. Mendl

Robust topology optimization (RTO), as a class of topology optimization problems, identifies a design with the best average performance while reducing the response sensitivity to input uncertainties, e.g. load uncertainty. Solving RTO is…

Machine Learning · Computer Science 2024-08-22 Rini Jasmine Gladstone , Mohammad Amin Nabian , Vahid Keshavarzzadeh , Hadi Meidani

Characterizing quantum many-body systems is a fundamental problem across physics, chemistry, and materials science. While significant progress has been made, many existing Hamiltonian learning protocols demand digital quantum control over…

Quantum Physics · Physics 2025-10-10 Sitan Chen , Jordan Cotler , Hsin-Yuan Huang

Local Hamiltonians, $H_k$, describe non-trivial $k$-body interactions in quantum many-body systems. Here, we address the dynamical simulatability of a $k$-local Hamiltonian by a simpler one, $H_{k'}$, with $k'<k$, under the realistic…

Quantum Physics · Physics 2024-06-06 Ayaka Usui , Anna Sanpera , María García Díaz

In this paper, we develop a method for solving the problem of minimizing the $H^2$ error norm between the transfer functions of original and reduced systems on the set of stable matrices and two Euclidean spaces. That is, we develop a…

Optimization and Control · Mathematics 2018-08-03 Kazuhiro Sato