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We present an efficient and accurate method for calculating electronic structure and related properties of random alloys with a proper treatment of local environment effects. The method is a generalization of the locally self-consistent…

Materials Science · Physics 2012-05-15 Oleg E. Peil , Andrei V. Ruban , Börje Johansson

The Green's functions of QCD encode important information about the infrared dynamics of the theory. The main non-perturbative tools used to study them are their own equations of motion, known as Schwinger-Dyson equations, and large-volume…

High Energy Physics - Phenomenology · Physics 2014-11-20 Joannis Papavassiliou

Gaussian processes (GPs) are a good choice for function approximation as they are flexible, robust to over-fitting, and provide well-calibrated predictive uncertainty. Deep Gaussian processes (DGPs) are multi-layer generalisations of GPs,…

Machine Learning · Statistics 2017-11-15 Hugh Salimbeni , Marc Deisenroth

We present a universal parameter-free quantum Monte Carlo (QMC) algorithm designed to simulate arbitrary spin-$1/2$ Hamiltonians. To ensure the convergence of the Markov chain to equilibrium for every conceivable case, we devise a clear and…

Computational Physics · Physics 2024-03-15 Lev Barash , Arman Babakhani , Itay Hen

The effective Hamiltonian method is a powerful tool for simulating large-scale systems across a wide range of temperatures. However, previous methods for constructing effective Hamiltonian models suffer from key limitations: some require to…

Computational Physics · Physics 2025-05-09 Yang Cheng , Binhua Zhang , Xueyang Li , Hongyu Yu , Changsong Xu , Hongjun Xiang

We report a linear-scaling random Green's function (rGF) method for large-scale electronic structure calculation. In this method, the rGF is defined on a set of random states to stochastically express the density matrix, and rGF is…

Mesoscale and Nanoscale Physics · Physics 2024-03-05 Mingfa Tang , Chang Liu , Aixia Zhang , Qingyun Zhang , Shengjun Yuan , Youqi Ke

We introduce a scalable variational method for simulating the dynamics of interacting open quantum bosonic systems deep in the quantum regime. The method is based on a multi-dimensional Wigner phase-space representation and employs a…

Quantum Physics · Physics 2025-07-21 Jacopo Tosca , Francesco Carnazza , Luca Giacomelli , Cristiano Ciuti

The famous least squares Monte Carlo (LSM) algorithm combines linear least square regression with Monte Carlo simulation to approximately solve problems in stochastic optimal stopping theory. In this work, we propose a quantum LSM based on…

Quantum Physics · Physics 2023-07-28 João F. Doriguello , Alessandro Luongo , Jinge Bao , Patrick Rebentrost , Miklos Santha

Using the hamiltonian formalism, we investigate the smooth bosonization method in which bosonization and fermionization are carried out through a specific gauge-fixing of an enlarged gauge invariant theory. The generator of the local gauge…

High Energy Physics - Theory · Physics 2009-10-22 Tamio Ikehashi

The properties of lattice-based structures can be enhanced by varying their geometric parameters in a graded manner, and the gradation can be tailored to extremize a particular objective. In this manuscript, we propose a non-gradient-based…

Computational Physics · Physics 2026-04-07 Piyush Agrawal , Manish Agrawal

Quantum simulations of many-body systems offer novel methods for probing the dynamics of the Standard Model and its constituent gauge theories. Extracting low-energy predictions from such simulations rely on formulating…

Quantum Physics · Physics 2025-12-30 Henry Froland , Dorota M. Grabowska , Zhiyao Li

Improved staggered fermion formulations are a popular choice for lattice QCD calculations. Historically, the algorithm used for such calculations has been the inexact R algorithm, which has systematic errors that only vanish as the square…

High Energy Physics - Lattice · Physics 2008-11-26 M. A. Clark , A. D. Kennedy

We propose an algorithm for Bayesian functional optimisation - that is, finding the function to optimise a process - guided by experimenter beliefs and intuitions regarding the expected characteristics (length-scale, smoothness, cyclicity…

Machine Learning · Computer Science 2020-09-09 Alistair Shilton , Sunil Gupta , Santu Rana , Svetha Venkatesh

The Green's function Monte Carlo (GFMC) method provides accurate solutions to the nuclear many-body problem and predicts properties of light nuclei starting from realistic two- and three-body interactions. Controlling the GFMC fermion-sign…

Nuclear Theory · Physics 2023-04-07 Gurtej Kanwar , Alessandro Lovato , Noemi Rocco , Michael Wagman

This article considers stochastic algorithms for efficiently solving a class of large scale non-linear least squares (NLS) problems which frequently arise in applications. We propose eight variants of a practical randomized algorithm where…

Numerical Analysis · Mathematics 2015-01-27 Farbod Roosta-Khorasani , Gábor J. Székely , Uri Ascher

In a recent proposal we applied methods from constructive QFT to derive a Hamiltonian Renormalisation Group in order to employ it ultimately for canonical quantum gravity. The proposal was successfully tested for free scalar fields and thus…

General Relativity and Quantum Cosmology · Physics 2021-11-01 Klaus Liegener , Thomas Thiemann

Large N gauge theories with adjoint matter can be numerically studied using lattice techniques. Eguchi-Kawai reductions holds for this theory and one can reduce the lattice model to a single site. Hybrid Monte Carlo algorithm can be used to…

High Energy Physics - Lattice · Physics 2015-03-19 R. Narayanan

Large-scale quantum devices provide insights beyond the reach of classical simulations. However, for a reliable and verifiable quantum simulation, the building blocks of the quantum device require exquisite benchmarking. This benchmarking…

Quantum Physics · Physics 2022-02-16 Agnes Valenti , Guliuxin Jin , Julian Léonard , Sebastian D. Huber , Eliska Greplova

We extend the continuous-time interaction-expansion quantum Monte Carlo method with respect to measuring observables for fermion-boson lattice models. Using generating functionals, we express expectation values involving boson operators,…

Strongly Correlated Electrons · Physics 2017-01-04 Manuel Weber , Fakher F. Assaad , Martin Hohenadler

The so-called phaseless quantum Monte-Carlo method currently offers one of the best performing theoretical framework to investigate interacting Fermi systems. It allows to extract an approximate ground-state wavefunction by averaging…

Strongly Correlated Electrons · Physics 2017-03-31 Olivier Juillet , Alexandre Leprévost , Jérémy Bonnard , Raymond Frésard
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