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Quantum computing is being extensively used in quantum chemistry, especially in simulating simple molecules and evaluating properties like the ground state energy, dipole moment, etc. The transformation of a molecular Hamiltonian from the…

Quantum Physics · Physics 2024-01-18 Harshdeep Singh , Sabyashachi Mishra , Sonjoy Majumder

Quantum generative modeling has emerged as a promising application of quantum computers, aiming to model complex probability distributions beyond the reach of classical methods. In practice, however, training such models often requires…

Quantum Physics · Physics 2026-03-13 Zoltán Kolarovszki , Bence Bakó , Michał Oszmaniec , Changhun Oh , Zoltán Zimborás

Variational quantum algorithms offer a promising new paradigm for solving partial differential equations on near-term quantum computers. Here, we propose a variational quantum algorithm for solving a general evolution equation through…

Quantum Physics · Physics 2022-06-28 Fong Yew Leong , Wei-Bin Ewe , Dax Enshan Koh

Estimating ground state energies of many-body Hamiltonians is a central task in many areas of quantum physics. In this work, we give quantum algorithms which, given any $k$-body Hamiltonian $H$, compute an estimate for the ground state…

This work presents a novel realization approach to Quantum Boltzmann Machines (QBMs). The preparation of the required Gibbs states, as well as the evaluation of the loss function's analytic gradient is based on Variational Quantum Imaginary…

Quantum Physics · Physics 2021-03-01 Christa Zoufal , Aurélien Lucchi , Stefan Woerner

A Gaussian operator basis provides a means to formulate phase-space simulations of the real- and imaginary-time evolution of quantum systems. Such simulations are guaranteed to be exact while the underlying distribution remains…

Computational Physics · Physics 2012-04-04 M. Ogren , K. V. Kheruntsyan , J. F. Corney

The barren plateau phenomenon, characterized by loss gradients that vanish exponentially with system size, poses a challenge to scaling variational quantum algorithms. Here we explore the potential of warm starts, whereby one initializes…

Quantum Physics · Physics 2025-03-04 Ricard Puig , Marc Drudis , Supanut Thanasilp , Zoë Holmes

We propose an efficient quantum algorithm for simulating the dynamics of general Hamiltonian systems. Our technique is based on a power series expansion of the time-evolution operator in its off-diagonal terms. The expansion decouples the…

Quantum Physics · Physics 2021-06-22 Amir Kalev , Itay Hen

The variational method is a versatile tool for classical simulation of a variety of quantum systems. Great efforts have recently been devoted to its extension to quantum computing for efficiently solving static many-body problems and…

Quantum Physics · Physics 2019-10-09 Xiao Yuan , Suguru Endo , Qi Zhao , Ying Li , Simon Benjamin

Gaussian process state-space models (GPSSMs) provide a principled and flexible approach to modeling the dynamics of a latent state, which is observed at discrete-time points via a likelihood model. However, inference in GPSSMs is…

Machine Learning · Computer Science 2023-07-18 Xuhui Fan , Edwin V. Bonilla , Terence J. O'Kane , Scott A. Sisson

Variational quantum algorithms (VQAs), as one of the most promising routes in the noisy intermediate-scale quantum (NISQ) era, offer various potential applications while also confront severe challenges due to near-term quantum hardware…

Quantum Physics · Physics 2024-12-12 Shi-Xin Zhang , Jiaqi Miao , Chang-Yu Hsieh

In this work we introduce a general scheme for measurement based quantum computation in continuous variables. Our approach does not necessarily rely on the use of ancillary cluster states to achieve its aim, but rather on the detection of a…

Quantum Physics · Physics 2017-02-01 Giulia Ferrini , Jonathan Roslund , Francesco Arzani , Claude Fabre , Nicolas Treps

This paper considers the extension of the non-Markovian stochastic approach for quantum open systems strongly coupled to a fermionic bath, to the models in which the system operators commute with the fermion bath. This technique can also be…

Quantum Physics · Physics 2013-04-19 Xinyu Zhao , Wufu Shi , Lian-Ao Wu , Ting Yu

Quantum algorithms on the noisy intermediate-scale quantum (NISQ) devices are expected to simulate quantum systems that are classically intractable to demonstrate quantum advantages. However, the non-negligible gate error on the NISQ…

Quantum Physics · Physics 2021-12-06 Joseph C. Aulicino , Trevor Keen , Bo Peng

Quantum computers are a highly promising tool for efficiently simulating quantum many-body systems. The preparation of their eigenstates is of particular interest and can be addressed, e.g., by quantum phase estimation algorithms. The…

Quantum Physics · Physics 2025-08-28 Xiaoyu Liu , Benjamin F. Schiffer , Jordi Tura

We implemented a gradient-based algorithm for transition state search which uses Gaussian process regression. Besides a description of the algorithm, we provide a method to find the starting point for the optimization if only the reactant…

Chemical Physics · Physics 2020-09-15 Alexander Denzel , Johannes Kästner

In a differential approach elaborated, we study the evolution of the parameters of Gaussian, mixed, continuous variable density matrices, whose dynamics are given by Hermitian Hamiltonians expressed as quadratic forms of the position and…

Quantum Physics · Physics 2020-05-26 Julio A. López-Saldívar , Margarita A. Man'ko , Vladimir I. Man'ko

We propose a distinct approach to solving linear and nonlinear differential equations (DEs) on quantum computers by encoding the problem into ground states of effective Hamiltonian operators. Our algorithm relies on constructing such…

Quantum Physics · Physics 2025-04-18 Hsin-Yu Wu , Annie E. Paine , Evan Philip , Antonio A. Gentile , Oleksandr Kyriienko

A local and distributive algorithm is proposed to find an optimal trial wave-function minimizing the Hamiltonian expectation in a quantum system. To this end, the quantum state of the system is connected to the Gibbs state of a classical…

Quantum Physics · Physics 2015-06-03 A. Ramezanpour

We present a cooling algorithm for ground state preparation of fermionic Hamiltonians. Our algorithm makes use of the Hamiltonian simulation of the considered system coupled to an ancillary fridge, which is regularly reset to its known…

Quantum Physics · Physics 2025-02-19 Lucas Marti , Refik Mansuroglu , Michael J. Hartmann