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We analyze the accuracy and sample complexity of variational Monte Carlo approaches to simulate the dynamics of many-body quantum systems classically. By systematically studying the relevant stochastic estimators, we are able to: (i) prove…

Quantum Physics · Physics 2023-10-11 Alessandro Sinibaldi , Clemens Giuliani , Giuseppe Carleo , Filippo Vicentini

We investigate the challenge of classical simulation of unitary quantum dynamics with variational Monte Carlo approaches, addressing the instabilities and high computational demands of existing methods. By systematically analyzing the…

Quantum Physics · Physics 2025-07-30 Luca Gravina , Vincenzo Savona , Filippo Vicentini

We develop a time-dependent variational Monte Carlo (t-VMC) method for quantum dynamics of strongly correlated electrons. The t-VMC method has been recently applied to bosonic systems and quantum spin systems. Here, we propose a…

Strongly Correlated Electrons · Physics 2015-12-22 Kota Ido , Takahiro Ohgoe , Masatoshi Imada

We introduce a method to simulate open quantum many-body dynamics by combining time-dependent variational Monte Carlo (tVMC) with quantum trajectory techniques. Our approach unravels the Lindblad master equation into an ensemble of…

When combined with highly expressive ansatz functions such as neural quantum states, variational Monte Carlo (VMC) constitutes a versatile numerical approach to tackle the quantum many-body problem in and out of equilibrium. However, its…

Quantum Physics · Physics 2026-05-06 Wladislaw Krinitsin , Markus Schmitt

We introduce several improvements to the penalty-based variational quantum Monte Carlo (VMC) algorithm for computing electronic excited states of Entwistle $\textit{et al.}$ [M. T. Entwistle $\textit{et al.}$, Nat. Commun. $\textbf{14}$,…

Chemical Physics · Physics 2024-09-23 P. Bernát Szabó , Zeno Schätzle , Mike T. Entwistle , Frank Noé

We present the extension of variational Monte Carlo (VMC) to the calculation of electronic excitation energies and oscillator strengths using time-dependent linear-response theory. By exploiting the analogy existing between the linear…

Chemical Physics · Physics 2018-11-08 Bastien Mussard , Emanuele Coccia , Roland Assaraf , Matt Otten , C. J. Umrigar , Julien Toulouse

Variational Monte Carlo (VMC) is a powerful and fast-growing method for optimizing and evolving parameterized many-body wave functions, especially with modern neural-network quantum states. In practice, however, the stochastic estimators…

Strongly Correlated Electrons · Physics 2026-03-20 Zhou-Quan Wan , Roeland Wiersema , Shiwei Zhang

While multilevel Monte Carlo (MLMC) methods for the numerical approximation of partial differential equations with random coefficients enjoy great popularity, combinations with spatial adaptivity seem to be rare. We present an adaptive MLMC…

Numerical Analysis · Mathematics 2017-12-20 Ralf Kornhuber , Evgenia Youett

The projective quantum Monte Carlo (PQMC) algorithms are among the most powerful computational techniques to simulate the ground state properties of quantum many-body systems. However, they are efficient only if a sufficiently accurate…

Computational Physics · Physics 2019-10-04 S. Pilati , E. M. Inack , P. Pieri

We examine the relation between the recently proposed time-dependent quantum Monte Carlo (TDQMC) method and the principles of stochastic quantization. In both TDQMC and stochastic quantization particle motion obeys stochastic guidance…

Atomic Physics · Physics 2009-11-13 Ivan P. Christov

We present a variational Monte Carlo (VMC) method that works equally well for the ground and the excited states of a quantum system. The method is based on the minimization of the variance of energy, as opposed to the energy itself in…

Computational Physics · Physics 2007-05-23 Imran Khan , Bo Gao

Reliably simulating two-dimensional many-body quantum dynamics with projected entangled pair states (PEPS) has long been a difficult challenge. In this work, we overcome this barrier for low-energy quantum dynamics by developing a stable…

Strongly Correlated Electrons · Physics 2026-01-29 Yantao Wu , Jannes Nys

Non-Hermitian quantum systems exhibit unique properties and hold significant promise for diverse applications, yet their dynamical simulation poses a particular challenge due to intrinsic openness and non-unitary evolution. Here, we…

Quantum Physics · Physics 2025-10-21 Xiaogang Li , Kecheng Liu , Qiming Ding

We propose an adaptive quantum algorithm to prepare accurate variational time evolved wave functions. The method is based on the projected Variational Quantum Dynamics (pVQD) algorithm, that performs a global optimization with linear…

Quantum Physics · Physics 2025-02-20 David Linteau , Stefano Barison , Netanel Lindner , Giuseppe Carleo

We propose a quantum Monte Carlo (QMC) algorithm for non-equilibrium dynamics in a system with a parameter varying as a function of time. The method is based on successive applications of an evolving Hamiltonian to an initial state and…

Statistical Mechanics · Physics 2013-07-09 Cheng-Wei Liu , Anatoli Polkovnikov , Anders W. Sandvik

We propose a general-purpose, self-adaptive approach to construct variational wavefunction ans\"atze for highly accurate quantum dynamics simulations based on McLachlan's variational principle. The key idea is to dynamically expand the…

In recent years, the neural-network quantum states method has been investigated to study the ground state and the time evolution of many-body quantum systems. Here we expand on the investigation and consider a quantum quench from the…

Quantum Physics · Physics 2024-06-06 Wenxuan Zhang , Bo Xing , Xiansong Xu , Dario Poletti

We present a modification to variational Monte Carlo's linear method optimization scheme that addresses a critical memory bottleneck while maintaining compatibility with both the traditional ground state variational principle and our…

Strongly Correlated Electrons · Physics 2017-02-07 Luning Zhao , Eric Neuscamman

Variational Monte Carlo (VMC) methods are used to sample classically from distributions corresponding to quantum states which have an efficient classical description. VMC methods are based on performing a number of steps of a Markov chain…

Quantum Physics · Physics 2023-10-27 Ashley Montanaro , Stasja Stanisic
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