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The many-body diffusion quantum Monte Carlo (DMC) method with twist-averaged boundary conditions is used to calculate the ground-state equation of state and the energetics of point defects in fcc aluminum using supercells up to 1331 atoms.…

Materials Science · Physics 2012-10-22 Randolph Q. Hood , P. R. C. Kent , Fernando A. Reboredo

A quantum interatomic scattering is implemented in the direct simulation Monte Carlo (DSMC) method applied to transport phenomena in rarefied gases. In contrast to the traditional DSMC method based on the classical scattering, the proposed…

Computational Physics · Physics 2025-07-16 Felix Sharipov

Quantum annealing provides a powerful platform for simulating magnetic materials and realizing statistical physics models, presenting a compelling alternative to classical Monte Carlo methods. We demonstrate that quantum annealers can…

Diffusion Monte Carlo (DMC) simulations for fermions are becoming the standard to provide high quality reference data in systems that are too large to be investigated via quantum chemical approaches. DMC with the fixed-node approximation…

Chemical Physics · Physics 2016-07-06 Andrea Zen , Sandro Sorella , Michael J. Gillan , Angelos Michaelides , Dario Alfè

Reliable simulations of correlated quantum systems, including high-temperature superconductors and frustrated magnets, are increasingly desired nowadays to further understanding of essential features in such systems. Quantum Monte Carlo…

Strongly Correlated Electrons · Physics 2019-03-28 Zi-Xiang Li , Hong Yao

Monte Carlo methods play a central role in particle physics, where they are indispensable for simulating scattering processes, modeling detector responses, and performing multi-dimensional integrals. However, traditional Monte Carlo methods…

Quantum Physics · Physics 2025-10-14 Heechan Yi , Kayoung Ban , Myeonghun Park , Kyoungchul Kong

Computing the ground-state properties of quantum many-body systems is a promising application of near-term quantum hardware with a potential impact in many fields. The conventional algorithm quantum phase estimation uses deep circuits and…

Quantum Physics · Physics 2023-02-14 Mingxia Huo , Ying Li

In a number of classical statistical-physical models, there exists a characteristic dimensionality called the upper critical dimension above which one observes the mean-field critical behavior. Instead of constructing high-dimensional…

Statistical Mechanics · Physics 2011-11-24 Seung Ki Baek , Jaegon Um , Su Do Yi , Beom Jun Kim

Direct sampling of multi-dimensional systems with quantum Monte Carlo methods allows exact account of many-body effects or particle correlations. The most straightforward approach to solve the Schr\"odinger equation, Diffusion Monte Carlo,…

Quantum Physics · Physics 2017-09-07 Ilkka Ruokosenmäki , Tapio T. Rantala

Quantum annealing (QA) with a transverse field often fails to sample degenerate ground states fairly, limiting applicability to problems requiring diverse optimal solutions. Although Quantum Monte Carlo (QMC) is widely used to simulate QA,…

Quantum Physics · Physics 2025-10-14 Naoki Maruyama , Masayuki Ohzeki , Kazuyuki Tanaka

In this work we investigate the ground state and the dissipative quantum dynamics of interacting charged particles in an external potential at finite temperature. The recently devised time-dependent quantum Monte Carlo (TDQMC) method allows…

Quantum Physics · Physics 2025-01-29 Ivan P. Christov

Quantum Monte Carlo (QMC) simulations constitute nowadays one of the most powerful methods to study strongly correlated quantum systems, provided that no "sign problem" arises. However, many systems of interest, including highly frustrated…

Strongly Correlated Electrons · Physics 2022-03-30 Andreas Honecker , Lukas Weber , Philippe Corboz , Frédéric Mila , Stefan Wessel

In dynamic Monte Carlo simulations, using for example the Metropolis dynamic, it is often required to simulate for long times and to simulate large systems. We present an overview of advanced algorithms to simulate for larger times and to…

Statistical Mechanics · Physics 2007-05-23 M. A. Novotny , Alice K. Kolakowska , G. Korniss

We introduce quantum fluctuations into the simulated annealing process of optimization problems, aiming at faster convergence to the optimal state. The idea is tested by the two models, the transverse Ising model and the traveling salesman…

Quantum Physics · Physics 2007-05-23 Tadashi Kadowaki

Ab initio auxiliary-field quantum Monte Carlo (AFQMC) is a systematically improvable many-body method, but its application to extended solids has been severely limited by unfavorable computational scaling and memory requirements that…

Strongly Correlated Electrons · Physics 2026-02-25 Jinghong Zhang , Meng-Fu Chen , Adam Rettig , Tong Jiang , Paul J. Robinson , Hieu Q. Dinh , Anton Z. Ni , Joonho Lee

Machine-learning (ML) ans\"atze have greatly expanded the accuracy and reach of variational quantum Monte Carlo (QMC) calculations, in particular when exploring the manifold quantum phenomena exhibited by spin systems. However, the…

Quantum Physics · Physics 2025-11-24 Manuel Gallego , Sebastián Roca-Jerat , David Zueco , Jesús Carrete

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

A Monte Carlo sampling of diagrammatic corrections to the non-crossing approximation is shown to provide numerically exact estimates of the long-time dynamics and steady state properties of nonequilibrium quantum impurity models. This…

Strongly Correlated Electrons · Physics 2012-12-21 Emanuel Gull , David R. Reichman , Andrew J. Millis

A recent preprint by Mazzola and Carleo numerically investigates exponential challenges that can arise for the QC-QMC algorithm introduced in our work, "Unbiasing fermionic quantum Monte Carlo with a quantum computer." As discussed in our…

By developing a cluster sampling of stochastic series expansion quantum Monte Carlo method, we investigate a spin-$1/2$ model on a bilayer square lattice with intra-layer ferromagnetic (FM) Ising coupling and inter-layer antiferromagnetic…

Quantum Physics · Physics 2023-05-10 Siying Wu , Binbin Yin , Xiaoxue Ran , Qi-Fang Li , Bin-Bin Mao , Yan-Cheng Wang , Zheng Yan