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We present a massively parallel quantum Monte Carlo based implementation of real-space dynamical mean-field theory for general inhomogeneous correlated fermionic lattice systems. As a first application, we study magnetic order in a binary…

A two-dimensional lattice hard-core boson system with a small fraction of bosonic or fermionic impurity particles is studied. The impurities have the same hopping and interactions as the dominant bosons and their effects are solely due to…

Discrete diffusion models are a class of generative models that produce samples from an approximated data distribution within a discrete state space. Often, there is a need to target specific regions of the data distribution. Current…

Cellular scale decision making is modulated by the dynamics of signalling molecules and their diffusive trajectories from a source to small absorbing sites on the cellular surface. Diffusive capture problems are computationally challenging…

Several aspects of the internal structure of pseudoscalar mesons, accessible through generalized parton distributions in their zero-skewness limit, are examined. These include electromagnetic and gravitational form factors related to charge…

In this Thesis, we describe the development of a three-dimensional radiative transfer code using Monte Carlo technique and its application to various astrophysical problems. This code is capable of simulating the radiation spectra coming…

A continuous-time projection quantum Monte Carlo algorithm is employed to simulate the ground state of a short-range quantum spin-glass model, namely, the two-dimensional Edwards-Anderson Hamiltonian with transverse field, featuring…

Computing smoothing distributions, the distributions of one or more states conditional on past, present, and future observations is a recurring problem when operating on general hidden Markov models. The aim of this paper is to provide a…

Computational tools for characterizing electromagnetic scattering from objects with uncertain shapes are needed in various applications ranging from remote sensing at microwave frequencies to Raman spectroscopy at optical frequencies.…

Three- and five-minute oscillations of sunspots have different spatial distributions in the solar atmospheric layers. The spatial distributions are crucial to reveal the physical origin of sunspot oscillations and to investigate their…

Methods of determining surface diffusion coefficients of molecules from signal fluctuations of a locally fixed probe are revisited and refined. Particular emphasis is put on the influence of the molecule's extent. In addition to the…

Stellar intensity interferometers will achieve stellar imaging with a tenth of a milli- arcsecond resolution in the optical band by taking advantage of the large light collect- ing area and broad range of inter-telescope distances offered…

A core problem in statistics and probabilistic machine learning is to compute probability distributions and expectations. This is the fundamental problem of Bayesian statistics and machine learning, which frames all inference as…

Monte Carlo simulation is an essential component of experimental particle physics in all the phases of its life-cycle: the investigation of the physics reach of detector concepts, the design of facilities and detectors, the development and…

A scanning tunneling microscope can be used to visualize in real space Fermi surfaces with buried impurities far below substrates acting as local probes. A theory describing this feature is developed based on the stationary phase…

We independently develop a simulation code following the previous dynamical Monte Carlo simulation of the diffusive shock acceleration under the isotropic scattering law during the scattering process, and the same results are obtained.…

The reconstruction of the energy and the depth of maximum $X_{\rm max}$ of an extensive air shower depends on the multiple scattering of fluorescence photons in the atmosphere. In this work, we explain how atmospheric aerosols, and…

We present an extensive study of the radiative transfer in dusty galaxies based on Monte Carlo simulations. The main output of these simulations are the attenuation curves ${\cal A}_\lambda$ (i.e. the ratio between the observed, dust…

We present a novel way of performing kinetic Monte Carlo simulations which does not require an {\it a priori} list of diffusion processes and their associated energetics and reaction rates. Rather, at any time during the simulation,…

Computational codes based on the Diffusion Monte Carlo method can be used to determine the quantum state of two-electron systems confined by external potentials of various nature and geometry. In this work, we show how the application of…