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We prove classical simulation hardness, under the generalized $\mathsf{P}\neq\mathsf{NP}$ conjecture, for quantum circuit families with applications in near-term chemical ground state estimation. The proof exploits a connection to particle…

Quantum Physics · Physics 2026-02-06 Oskar Leimkuhler , K. Birgitta Whaley

We introduce a novel computational framework for excited-states molecular quantum dynamics simulations driven by quantum computing-based electronic-structure calculations. This framework leverages the fewest-switches surface-hopping method…

Quantum Physics · Physics 2024-02-26 Anthony Gandon , Alberto Baiardi , Pauline Ollitrault , Ivano Tavernelli

The most efficient known quantum circuits for preparing unitary coupled cluster states and applying Trotter steps of the arbitrary basis electronic structure Hamiltonian involve interleaved sequences of fermionic Gaussian circuits and Ising…

Quantum Physics · Physics 2021-09-13 Nicholas C. Rubin , Joonho Lee , Ryan Babbush

Response functions are a fundamental aspect of physics; they represent the link between experimental observations and the underlying quantum many-body state. However, this link is often under-appreciated, as the Lehmann formalism for…

Quantum Physics · Physics 2023-02-22 Efekan Kökcü , Heba A. Labib , J. K. Freericks , Alexander F. Kemper

We study in this paper two classes of experimental designs, support points and projected support points, which can provide robust and effective emulation of computer experiments with Gaussian processes. These designs have two important…

Methodology · Statistics 2025-07-15 Simon Mak , V. Roshan Joseph

A growing cohort of experimental linear photonic networks implementing Gaussian boson sampling (GBS) have now claimed quantum advantage. However, many open questions remain on how to effectively verify these experimental results, as…

Quantum Physics · Physics 2023-08-03 Alexander S. Dellios , Margaret D. Reid , Peter D. Drummond

Analog quantum simulation based on ultracold atoms in optical lattices has catalyzed significant breakthroughs in the study of quantum many-body systems. These simulations rely on the statistical sampling of electronic Fock states, which…

Quantum Gases · Physics 2025-02-11 Shuhan Ding , Shaozhi Li , Yao Wang

Most non-relativistic interacting quantum many-body systems, such as atomic and molecular ensembles or materials, are naturally described in terms of continuous-space Hamiltonians. The simulation of their ground-state properties on digital…

Quantum Physics · Physics 2024-09-11 Friederike Metz , Gabriel Pescia , Giuseppe Carleo

The study of ground-state properties of the Fermi-Hubbard model is a long-lasting task in the research of strongly correlated systems. Owing to the exponentially growing complexity of the system, a quantitative analysis usually demands high…

Strongly Correlated Electrons · Physics 2023-08-15 Yue-Ran Shi , Yuan-Yao He , Ruijin Liu , Wei Zhang

The Gaussian process state-space model (GPSSM) has garnered considerable attention over the past decade. However, the standard GP with a preliminary kernel, such as the squared exponential kernel or Mat\'{e}rn kernel, that is commonly used…

Machine Learning · Computer Science 2023-04-07 Zhid Lin , Feng Yin , Juan Maroñas

Notions of a Gaussian state and a Gaussian linear map are generalized to the case of anticommuting (Grassmann) variables. Conditions under which a Gaussian map is trace preserving and (or) completely positive are formulated. For any…

Quantum Physics · Physics 2007-05-23 Sergey Bravyi

We pose a generalized Boson Sampling problem. Strong evidence exists that such a problem becomes intractable on a classical computer as a function of the number of Bosons. We describe a quantum optical processor that can solve this problem…

Quantum Physics · Physics 2014-09-10 A. P. Lund , A. Laing , S. Rahimi-Keshari , T. Rudolph , J. L O'Brien , T. C. Ralph

A quantum algorithm to simulate the real time dynamics of two-flavor massive Gross-Neveu model is presented in Schrodinger picture. We implement the simulation on a classic computer by applying the matrix product state representation. The…

High Energy Physics - Theory · Physics 2020-11-17 De-Sheng Li , Hao Wang , Chu Guo , Ming Zhong , Ping-Xing Chen

Finding reliable approximations to the quantum many-body problem is one of the central challenges of modern physics. Elemental to this endeavor is the development of advanced numerical techniques pushing the limits of what is tractable. One…

Quantum Physics · Physics 2025-08-13 Björn J. Wurst , Dante M. Kennes , Jonas B. Profe

Modeling low energy eigenstates of fermionic systems can provide insight into chemical reactions and material properties and is one of the most anticipated applications of quantum computing. We present three techniques for reducing the cost…

We develop a constructive approach to generate artificial neural networks representing the exact ground states of a large class of many-body lattice Hamiltonians. It is based on the deep Boltzmann machine architecture, in which two layers…

Disordered Systems and Neural Networks · Physics 2018-12-18 Giuseppe Carleo , Yusuke Nomura , Masatoshi Imada

Differential equations are important mechanistic models that are integral to many scientific and engineering applications. With the abundance of available data there has been a growing interest in data-driven physics-informed models.…

Machine Learning · Computer Science 2025-02-04 Oliver Hamelijnck , Arno Solin , Theodoros Damoulas

We introduce a new method for representing the low energy subspace of a bosonic field theory on the qubit space of digital quantum computers. This discretization leads to an exponentially precise description of the subspace of the…

Quantum Physics · Physics 2018-10-17 Alexandru Macridin , Panagiotis Spentzouris , James Amundson , Roni Harnik

We propose a framework for computing the structure and dynamics for second-quantized many-nucleon Hamiltonians on quantum computers. We develop an oracle-based Hamiltonian input model that computes the many-nucleon states and nonzero…

Nuclear Theory · Physics 2024-08-14 Weijie Du , James P. Vary

We present a scheme to conditionally engineer an optical quantum system via continuous-variable measurements. This scheme yields high-fidelity squeezed single photon and superposition of coherent states, from input single and two photon…