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Variational approaches, such as variational Monte Carlo (VMC) or the variational quantum eigensolver (VQE), are powerful techniques to tackle the ground-state many-electron problem. Often, the family of variational states is not invariant…

Quantum Physics · Physics 2023-10-10 Javier Robledo Moreno , Jeffrey Cohn , Dries Sels , Mario Motta

The construction of trial wave functions based on neural networks combined with the variational Monte Carlo method is discussed. The mathematical formulation for representing quantum states as artificial neural networks is introduced. The…

Computational Physics · Physics 2026-05-19 William Freitas

We investigate the performance of a class of compact and systematically improvable Jastrow-Slater wave functions for the efficient and accurate computation of structural properties, where the determinantal component is expanded with a…

Chemical Physics · Physics 2019-01-17 Monika Dash , Saverio Moroni , Anthony Scemama , Claudia Filippi

Normal states of the attractive Hubbard model, especially in two dimension, are studied in the light of a transition from a Fermi liquid to an insulating or gapped state. A series of variational Monte Carlo calculations with better…

Strongly Correlated Electrons · Physics 2009-11-07 Hisatoshi Yokoyama

The possibility to simulate the properties of many-body open quantum systems with a large number of degrees of freedom is the premise to the solution of several outstanding problems in quantum science and quantum information. The challenge…

Quantum Physics · Physics 2019-07-03 Alexandra Nagy , Vincenzo Savona

Variational inference lies at the core of many state-of-the-art algorithms. To improve the approximation of the posterior beyond parametric families, it was proposed to include MCMC steps into the variational lower bound. In this work we…

Machine Learning · Statistics 2016-09-28 Christopher Wolf , Maximilian Karl , Patrick van der Smagt

Although the linear method is one of the most robust algorithms for optimizing non-linearly parametrized wavefunctions in variational Monte Carlo, it suffers from a memory bottleneck due to the fact at each optimization step a generalized…

Strongly Correlated Electrons · Physics 2020-01-29 Iliya Sabzevari , Ankit Mahajan , Sandeep Sharma

With the use of Gutzwiller-projected variational states, we study the renormalization of the current carried by the quasiparticles in high-temperature superconductors and of the quasiparticle spectral weight. The renormalization…

Strongly Correlated Electrons · Physics 2009-11-11 Cody P Nave , Dmitri A. Ivanov , Patrick A. Lee

In this article, we report a fully ab initio variational Monte Carlo study of the linear, and periodic chain of Hydrogen atoms, a prototype system providing the simplest example of strong electronic correlation in low dimensions. In…

Strongly Correlated Electrons · Physics 2015-05-30 Lorenzo Stella , Claudio Attaccalite , Sandro Sorella , Angel Rubio

Variational quantum metrology represents a powerful tool for optimizing generic estimation strategies, combining the principles of variational optimization with the techniques of quantum metrology. Such optimization procedures result…

Monte Carlo is a versatile and frequently used tool in statistical physics and beyond. Correspondingly, the number of algorithms and variants reported in the literature is vast, and an overview is not easy to achieve. In this pedagogical…

Statistical Mechanics · Physics 2010-01-04 Michael Kastner

Computing accurate yet efficient approximations to the solutions of the electronic Schr\"odinger equation has been a paramount challenge of computational chemistry for decades. Quantum Monte Carlo methods are a promising avenue of…

Chemical Physics · Physics 2023-09-25 Zeno Schätzle , Bernát Szabó , Matĕj Mezera , Jan Hermann , Frank Noé

We present a stepwise adaptive-timestep version of the Quantum Jump (Monte Carlo wave-function) algorithm. Our method has proved to remain robust even for problems where the integrating implementation of the Quantum Jump method is…

Quantum Physics · Physics 2019-03-27 M. Kornyik , A. Vukics

We propose a framework for the design and analysis of optimization algorithms in variational quantum Monte Carlo, drawing on geometric insights into the corresponding function space. The framework translates infinite-dimensional…

Strongly Correlated Electrons · Physics 2025-07-16 Victor Armegioiu , Juan Carrasquilla , Siddhartha Mishra , Johannes Müller , Jannes Nys , Marius Zeinhofer , Hang Zhang

Computation of ionic forces using quantum Monte Carlo methods has long been a challenge. We introduce a simple procedure, based on known properties of physical electronic densities, to make the variance of the Hellmann-Feynman estimator…

Computational Physics · Physics 2007-05-23 Simone Chiesa , David Ceperley , Shiwei Zhang

This article aims to summarize recent and ongoing efforts to simulate continuous-variable quantum systems using flow-based variational quantum Monte Carlo techniques, focusing for pedagogical purposes on the example of bosons in the field…

Quantum Physics · Physics 2022-03-29 James Stokes , Brian Chen , Shravan Veerapaneni

Option valuation problems are often solved using standard Monte Carlo (MC) methods. These techniques can often be enhanced using several strategies especially when one discretizes the dynamics of the underlying asset, of which we assume…

Computational Finance · Quantitative Finance 2018-06-06 P. P. Osei , A. Jasra

The variational quantum Monte Carlo (VQMC) method received significant attention in the recent past because of its ability to overcome the curse of dimensionality inherent in many-body quantum systems. Close parallels exist between VQMC and…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-07-01 Tianchen Zhao , Saibal De , Brian Chen , James Stokes , Shravan Veerapaneni

Variational (Rayleigh-Ritz) methods are applied to local quantum field theory. For scalar theories the wave functional is parametrized in the form of a superposition of Gaussians and the expectation value of the Hamiltonian is expressed in…

High Energy Physics - Theory · Physics 2016-08-25 George Tiktopoulos

We study evolution of a quantum particle in a harmonic potential whose position and momentum are repeatedly monitored. A back-action of measuring devices is accounted for. Our model utilizes a generalized measurement corresponding to the…

Quantum Physics · Physics 2023-06-16 Filip Gampel , Mariusz Gajda
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