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The Weyl-Wigner representation of quantum mechanics allows one to map the density operator in a function in phase space - the Wigner function - which acts like a probability distribution. In the context of statistical mechanics, this…

Quantum Physics · Physics 2023-08-31 Marcos Gil de Oliveira , Alfredo Miguel Ozorio de Almeida

Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…

Materials Science · Physics 2020-07-07 He Ma , Marco Govoni , Giulia Galli

In this work, we apply a semi-Lagrangian spectral method for the Vlasov-Poisson system, previously designed for periodic Fourier discretizations, by implementing Legendre polynomials and Hermite functions in the approximation of the…

Numerical Analysis · Mathematics 2018-07-09 Lorella Fatone , Daniele Funaro , Gianmarco Manzini

Determining ground state energies of quantum systems by hybrid classical/quantum methods has emerged as a promising candidate application for near-term quantum computational resources. Short of large-scale fault-tolerant quantum computers,…

Quantum Physics · Physics 2016-10-25 Nicholas C. Rubin

Classical-like formulas are given in order to evaluate thermal averages of observables belonging to a quantum nonlinear system with dissipation described by the Caldeira-Leggett model [Phys. Rev. Lett. 46, 211 (1981); Ann. Phys. (N.Y.) 149,…

Statistical Mechanics · Physics 2009-10-30 Alessandro Cuccoli , Andrea Rossi , Valerio Tognetti , Ruggero Vaia

Hybrid classical-quantum algorithms aim at variationally solving optimisation problems, using a feedback loop between a classical computer and a quantum co-processor, while benefitting from quantum resources. Here we present experiments…

We assess the suitability of quantum and semiclassical initial value representations, exemplified by the coupled coherent states (CCS) method and the Herman Kluk (HK) propagator, respectively, for modeling the dynamics of an electronic wave…

Atomic Physics · Physics 2015-06-19 C. Zagoya , J. Wu , M. Ronto , D. V. Shalashilin , C. Figueira de Morisson Faria

Accurate predictions of inclusive scattering cross sections in the linear response regime require efficient and controllable methods to calculate the spectral density in a strongly-correlated many-body system. In this work we reformulate…

Quantum Physics · Physics 2023-03-29 Jeremy Hartse , Alessandro Roggero

Spectroscopy is an indispensable tool in understanding the structures and dynamics of molecular systems. However computational modelling of spectroscopy is challenging due to the exponential scaling of computational complexity with system…

Quantum Physics · Physics 2021-06-22 Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Liang Shi

Using a recently introduced tensor network method, we study the density of states of the lattice Schwinger model, a standard testbench for lattice gauge theory numerical techniques, but also the object of recent experimental quantum…

High Energy Physics - Lattice · Physics 2021-08-04 Irene Papaefstathiou , Daniel Robaina , J. Ignacio Cirac , Mari Carmen Bañuls

Thermalization of a system in the presence of a heat bath has been the subject of many theoretical investigations especially in the framework of solid-state physics. In this setting, the presence of a large bandwidth for the frequency…

Statistical Mechanics · Physics 2015-10-09 Roberto Onofrio , Bala Sundaram

A framework for simulating the real-time dynamics of composite particles in a simple model of dense matter that is amenable to quantum computers is developed. As a demonstration, we perform classical simulations of heavy-hadrons propagating…

Quantum Physics · Physics 2025-01-22 Roland C. Farrell , Marc Illa , Martin J. Savage

This work presents an efficient numerical method to evaluate the free energy density and associated thermodynamic quantities of (quasi) one-dimensional classical systems, by combining the transfer operator approach with a numerical…

Numerical Analysis · Mathematics 2021-03-09 Christian B. Mendl , Folkmar Bornemann

We propose computationally efficient methods for estimating stationary multivariate spatial and spatial-temporal spectra from incomplete gridded data. The methods are iterative and rely on successive imputation of data and updating of model…

Methodology · Statistics 2018-11-06 Joseph Guinness

We propose a hybrid quantum-classical eigensolver to address the computational challenges of simulating strongly correlated quantum many-body systems, where the exponential growth of the Hilbert space and extensive entanglement render…

Quantum Physics · Physics 2025-10-23 Lei Xu , Ling Wang

The development of emerging technologies in quantum optics demands accurate models that faithfully capture genuine quantum effects. Mature semiclassical approaches reach their limits when confronted with quantized electromagnetic fields,…

Developing efficient path integral (PI) methods for atomistic simulations of vibrational spectra in heterogeneous condensed phases and interfaces has long been a challenging task. Here, we present the h-CMD method, short for hybrid centroid…

Chemical Physics · Physics 2025-05-08 Dil K. Limbu , Nathan London , Md Omar Faruque , Mohammad R. Momeni

Owing to the computational complexity of electronic structure algorithms running on classical digital computers, the range of molecular systems amenable to simulation remains tightly circumscribed even after many decades of work. Quantum…

Quantum Physics · Physics 2022-05-18 Alexis Ralli , Michael I. Williams , Peter V. Coveney

Several UV complete models of physics beyond the Standard Model are currently under scrutiny, their low-energy dynamics being compared with the experimental data from the LHC. Lattice simulations can play a role in these studies by…

High Energy Physics - Lattice · Physics 2017-02-20 Luigi Del Debbio , Christoph Englert , Roman Zwicky

Estimating transition rates in open quantum systems is hampered by computing-resource demands that grow rapidly with system size. We present a quantum-simulation framework that enables efficient estimation by recasting the transition rate,…

Quantum Physics · Physics 2025-12-16 Robson Christie , Kyunghyun Baek , Jeongho Bang , Jaewoo Joo