Accelerated quantum Monte Carlo with probabilistic computers by Shuvro Chowdhury, Kerem Y. Camsari, Supriyo Datta

“…Abstract Quantum Monte Carlo (QMC) techniques are widely used in a variety of scientific problems and much work has been dedicated to developing optimized algorithms that can accelerate QMC on standard processors (CPU). …”
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Fast and stable determinant quantum Monte Carlo by Carsten Bauer

“…We assess numerical stabilization methods employed in fermion many-body quantum Monte Carlo simulations. In particular, we empirically compare various matrix decomposition and inversion schemes to gain control over numerical instabilities arising in the computation of equal-time and time-displaced Green's functions within the determinant quantum Monte Carlo (DQMC) framework. …”
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Ab-initio molecular dynamics with quantum Monte Carlo by Ye eLuo, Sandro eSorella

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Determining quantum Monte Carlo simulability with geometric phases by Itay Hen

“…Although stoquastic Hamiltonians are known to be simulable via sign-problem-free quantum Monte Carlo (QMC) techniques, the nonstoquasticity of a Hamiltonian does not necessarily imply the existence of a QMC sign problem. …”
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A Quantum Monte Carlo method at fixed energy by Farhi, Edward, Goldstone, Jeffrey, Gosset, David, Meyer, Harvey B.

“…In this paper we explore ways to study the zero temperature limit of quantum statistical mechanics using Quantum Monte Carlo simulations. We develop a Quantum Monte Carlo method in which one fixes the ground state energy as a parameter. …”
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Quantum Monte Carlo for accurate energies and materials design by Saritas, Kayahan

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Quantum Monte Carlo Calculations for Minimum Energy Structures by Wagner, Lucas K., Grossman, Jeffrey C.

“…We demonstrate the applicability of the algorithm by minimizing the energy of the H2O-OH- complex and showing that the structural minima from quantum Monte Carlo calculations affect the qualitative behavior of the potential energy surface substantially.…”
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Properties of reactive oxygen species by quantum Monte Carlo by Zen, Andrea, Trout, Bernhardt L., Guidoni, Leonardo

“…In this work we use the variational Monte Carlo (VMC) and the lattice regularized Monte Carlo (LRDMC) methods to investigate the equilibrium geometries and molecular properties of oxygen and oxygen reactive species. Quantum Monte Carlo methods are used in combination with the Jastrow Antisymmetrized Geminal Power (JAGP) wave function ansatz, which has been recently shown to effectively describe the statical and dynamical correlation of different molecular systems. …”
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Neutral band gap of carbon by quantum Monte Carlo methods by V. Gorelov, Y. Yang, M. Ruggeri, D. M. Ceperley, C. Pierleoni, M. Holzmann

Subjects: “…quantum monte carlo…”
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Stochastic series expansion quantum Monte Carlo for Rydberg arrays by Ejaaz Merali, Isaac J. S. De Vlugt, Roger G. Melko

“…A common Rydberg Hamiltonian is free of the sign problem, meaning that its equilibrium properties are amenable to efficient simulation by quantum Monte Carlo (QMC). In this paper, we develop a Stochastic Series Expansion QMC algorithm for Rydberg atoms interacting on arbitrary lattices. …”
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Determinantal quantum Monte Carlo solver for cluster perturbation theory by Edwin W. Huang, Shuhan Ding, Jiarui Liu, Yao Wang

“…Here, we introduce determinantal quantum Monte Carlo (DQMC) as a solver for CPT. Compared to the standard solver, exact diagonalization (ED), the DQMC solver reduces finite size effects through utilizing larger clusters, allows study of temperature dependence, and enables large-scale simulations of a greater set of models. …”
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Numerical and geometrical aspects of flow-based variational quantum Monte Carlo by James Stokes, Brian Chen, Shravan Veerapaneni

“…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 amplitude (quadrature) basis. …”
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Quantum Monte Carlo algorithm for arbitrary spin-1/2 Hamiltonians by Lev Barash, Arman Babakhani, Itay Hen

“…We present a universal parameter-free quantum Monte Carlo (QMC) algorithm designed to simulate arbitrary spin-1/2 Hamiltonians. …”
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Quantum Monte Carlo study of the attractive kagome-lattice Hubbard model by Xingchuan Zhu, Wanpeng Han, Shiping Feng, Huaiming Guo

“…Considering the lack of such studies, here we systematically investigate the attractive kagome-lattice Hubbard model using the mean-field approach and determinant quantum Monte Carlo (DQMC). A charge-density-wave order satisfying the triangle rule is predicted by the mean-field treatment, and subsequent DQMC simulations provide indirect evidence for its existence. …”
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Second-order perturbation theory in continuum quantum Monte Carlo calculations by Ryan Curry, Joel E. Lynn, Kevin E. Schmidt, Alexandros Gezerlis

“…We report on the first results for the second-order perturbation theory correction to the ground-state energy of a nuclear many-body system in a continuum quantum Monte Carlo calculation. Second-order (and higher) perturbative corrections are notoriously difficult to compute in most ab initio many-body methods, where the focus is usually on obtaining the ground-state energy. …”
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Footprints of impurity quantum phase transitions in quantum Monte Carlo statistics by Vladislav Pokorný, Tomáš Novotný

“…We present an analysis of the statistics of the perturbation expansion order of the continuous-time hybridization expansion quantum Monte Carlo algorithm in the vicinity of such a first-order impurity QPT. …”
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Quantum Monte Carlo Integration: The Full Advantage in Minimal Circuit Depth by Steven Herbert

“…No previous proposal for quantum Monte Carlo integration has achieved all of these at once. …”
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First Principles Methods: A Perspective from Quantum Monte Carlo by Miguel A. Morales, Raymond Clay, Carlo Pierleoni, David M. Ceperley

Subjects: “…quantum Monte Carlo…”
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Quantum Monte Carlo study of high pressure solid molecular hydrogen by Sam Azadi, W M C Foulkes, Thomas D Kühne

“…We use the diffusion quantum Monte Carlo (DMC) method to calculate the ground-state phase diagram of solid molecular hydrogen and examine the stability of the most important insulating phases relative to metallic crystalline molecular hydrogen. …”
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Excited state calculations in solids by auxiliary-field quantum Monte Carlo by Fengjie Ma, Shiwei Zhang, Henry Krakauer

“…Using auxiliary-field quantum Monte Carlo, we introduce an orthogonalization constraint with virtual orbitals to prevent collapse of the stochastic Slater determinants in the imaginary-time propagation. …”
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