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Uncertainty quantification (UQ) in Large Language Models (LLMs) is essential for their safe and reliable deployment, particularly in critical applications where incorrect outputs can have serious consequences. Current UQ methods typically…

Computation and Language · Computer Science 2025-04-10 Nicola Cecere , Andrea Bacciu , Ignacio Fernández Tobías , Amin Mantrach

We study the Hubbard model using the Cellular Dynamical Mean-Field Theory (CDMFT) with quantum Monte Carlo (QMC) simulations. We present the algorithmic details of CDMFT with the Hirsch-Fye QMC method for the solution of the…

Strongly Correlated Electrons · Physics 2009-11-11 B. Kyung , G. Kotliar , A. -M. S. Tremblay

The entanglement entropy and the logarithmic negativity can be computed in quantum field theory through a method based on the replica limit. Performing these analytic continuations in some cases is beyond our current knowledge, even for…

Statistical Mechanics · Physics 2015-06-18 Cristiano De Nobili , Andrea Coser , Erik Tonni

We present a novel technique to incorporate precision calculations from quantum chromodynamics into fully differential particle-level Monte-Carlo simulations. By minimizing an information-theoretic quantity subject to constraints, our…

High Energy Physics - Phenomenology · Physics 2025-09-19 Benoît Assi , Stefan Höche , Kyle Lee , Jesse Thaler

Quantum entanglement is fragile to thermal fluctuations, which raises the question whether finite temperature phase transitions support long-range entanglement similar to their zero temperature counterparts. Here we use quantum Monte Carlo…

Strongly Correlated Electrons · Physics 2020-10-07 Kai-Hsin Wu , Tsung-Cheng Lu , Chia-Min Chung , Ying-Jer Kao , Tarun Grover

We develop a systematic method to extract the negativity in the ground state of a 1+1 dimensional relativistic quantum field theory, using a path integral formalism to construct the partial transpose rho_A^{T_2} of the reduced density…

Statistical Mechanics · Physics 2012-10-22 Pasquale Calabrese , John Cardy , Erik Tonni

We compare the integration error of Monte Carlo (MC) and quasi-Monte Carlo (QMC) methods for approximating the normalizing constant of posterior distributions and certain marginal likelihoods. In doing so, we characterize the dependency of…

Statistics Theory · Mathematics 2025-06-30 Yanbo Tang

The method of Monte Carlo configuration interaction (MCCI) [1,2] is applied to the calculation of multipole moments. We look at the ground and excited state dipole moments in carbon monoxide. We then consider the dipole of NO, the…

Chemical Physics · Physics 2013-04-12 J. P. Coe , D. J. Taylor , M. J. Paterson

Quantum Monte Carlo (QMC) is applied to obtain the fundamental (quasiparticle) electronic band gap, $\Delta_f$, of a semiconducting two-dimensional (2D) phosphorene whose optical and electronic properties fill the void between graphene and…

Mesoscale and Nanoscale Physics · Physics 2019-02-06 Tobias Frank , Rene Derian , Kamil Tokar , Lubos Mitas , Jaroslav Fabian , Ivan Stich

The negative sign problem in quantum Monte Carlo (QMC) simulations of cluster impurity problems is the major bottleneck in cluster dynamical mean field calculations. In this paper we systematically investigate the dependence of the sign…

Strongly Correlated Electrons · Physics 2015-11-18 Hiroshi Shinaoka , Yusuke Nomura , Silke Biermann , Matthias Troyer , Philipp Werner

Quantum Monte Carlo and semiclassical methods are used to solve two and four site cluster dynamical mean field approximations to the square lattice Hubbard model at half filling and strong coupling. The energy, spin correlation function,…

Strongly Correlated Electrons · Physics 2009-11-11 Andreas Fuhrmann , Satoshi Okamoto , Hartmut Monien , Andrew J. Millis

Quantum Monte Carlo (QMC) methods are some of the most accurate methods for simulating correlated electronic systems. We investigate the compatibility, strengths and weaknesses of two such methods, namely, diffusion Monte Carlo (DMC) and…

Computational Physics · Physics 2020-10-14 Fionn D. Malone , Anouar Benali , Miguel A. Morales , Michel Caffarel , P. R. C. Kent , Luke Shulenburger

The diagramatic Monte Carlo method has so far been primarily used in connection with the weak coupling expansion. Here we show that the strong coupling expansion offers a significant advantage: it can be efficiently implemented on both the…

Strongly Correlated Electrons · Physics 2023-11-17 Kristjan Haule

We apply Quantum Monte Carlo technique to analyze the non equlibrium state of a trapped 1d Bose gas just after the quenching of the confining potential. As a matter of fact we solve the time dependent Schroedinger equation for the system of…

Quantum Gases · Physics 2017-05-23 Sumita Datta , Maxim Olshanii

In a typical finite temperature quantum Monte Carlo (QMC) simulation, estimators for simple static observables such as specific heat and magnetization are known. With a great deal of system-specific manual labor, one can sometimes also…

Statistical Mechanics · Physics 2026-01-30 Nic Ezzell , Itay Hen

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

Nuclear many-body systems, ranging from nuclei to neutron stars, are some of the most interesting physical phenomena in our universe, and Quantum Monte Carlo (QMC) approaches are among the most accurate many-body methods currently available…

Nuclear Theory · Physics 2025-01-03 Ryan Curry , Rahul Somasundaram , Stefano Gandolfi , Alexandros Gezerlis , Ingo Tews

Random walks are frequently used as a model for very diverse physical phenomena. The Monte Carlo method is a versatile tool for the study of the properties of systems modelled as random walks. Often, each walker is associated with a…

Statistical Mechanics · Physics 2021-07-21 Hunter Belanger , Davide Mancusi , Andrea Zoia

In these lectures we describe the use of Monte Carlo simulations in understanding the role of tunneling events, instantons, in a quantum mechanical toy model. We study, in particular, a variety of methods that have been used in the QCD…

High Energy Physics - Lattice · Physics 2007-05-23 Thomas Schaefer

Ab initio quantum Monte Carlo (QMC) methods are state-of-the-art electronic structure calculations based on highly parallelizable stochastic frameworks for accurate solutions of the many-body Schr{\"o}dinger equation, suitable for modern…

Chemical Physics · Physics 2026-04-07 Kousuke Nakano , Stefano Battaglia , Jürg Hutter