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Treating realistically the ambient water is one of the main difficulties in applying Monte Carlo methods to protein folding. The solvent-accessible area method, a popular method for treating water implicitly, is investigated by means of…
Monte Carlo rendering algorithms are widely used to produce photorealistic computer graphics images. However, these algorithms need to sample a substantial amount of rays per pixel to enable proper global illumination and thus require an…
A set of physics models for nanodosimetry simulation is being re-engineered for use in Geant4-based simulations. This extension of Geant4 capabilities is part of a larger scale R&D project for multi-scale simulation involving adaptable,…
Correlated fermions are of high interest in condensed matter (Fermi liquids, Wigner molecules), cold atomic gases and dense plasmas. Here we propose a novel approach to path integral Monte Carlo (PIMC) simulations of strongly degenerate…
Liquid xenon offers several features, which make it suitable for applications in nuclear medicine, such as high scintillation yield and fast scintillation decay time. Moreover, being a continuous medium with a uniform response, liquid xenon…
The VERTEX code is employed for multi-dimensional neutrino-radiation hydrodynamics simulations of core-collapse supernova explosions from first principles. The code is considered state-of-the-art in supernova research and it has been used…
High-energy physics simulations traditionally rely on classical Monte Carlo methods to model complex particle interactions, often incurring significant computational costs. In this paper, we introduce a novel quantum-enhanced simulation…
In this proceedings we demonstrate how to implement and construct the PineAPPL grids, designed for fast-interpolation of Monte Carlo simulation with electroweak and QCD corrections, using the VegasFlow framework for Monte Carlo simulation…
The EM algorithm is a powerful tool for maximum likelihood estimation with missing data. In practice, the calculations required for the EM algorithm are often intractable. We review numerous methods to circumvent this intractability, all of…
The computational complexity of simultaneous inference methods in high-dimensional linear regression models quickly increases with the number variables. This paper proposes a computationally efficient method based on the Moore-Penrose…
We extend the Worldline Monte Carlo approach to computationally simulating the Feynman path integral of non-relativistic multi-particle quantum-mechanical systems. We show how to generate an arbitrary number of worldlines distributed…
We study the current and shot noise in a linear array of metallic nanoparticles taking explicitly into consideration their discrete electronic spectra. Phonon assisted tunneling and dissipative effects on single nanoparticles are…
In this work we present a novel 3D Monte Carlo photon transport program for simulation of multiple refractive scattering based on the refractive properties of X-rays in highly scattering media, like lung tissue. Multiple scattering reduces…
This manuscript presents a comparative analysis of two software packages, MC X-ray and PENELOPE, focusing on their accuracy and efficiency in simulating k-ratios for binary compounds and comparing their spectra with experimental data for…
Metropolis Monte Carlo simulation is a powerful tool for studying the equilibrium properties of matter. In complex condensed-phase systems, however, it is difficult to design Monte Carlo moves with high acceptance probabilities that also…
The pseudospectral method is a highly accurate numerical scheme suitable for turbulence simulations. We have developed an open-source pseudospectral code, \textsc{\textsf{Calliope}}, which adopts the P3DFFT library \citep{Pekurovsky2012} to…
The precise simulation of turbulent flows is of immense importance in a variety of scientific and engineering fields, including climate science, freshwater science, and the development of energy-efficient manufacturing processes. Within the…
We give a brief discussion of the recently developed Constrained-Path Monte Carlo Method. This method is a quantum Monte Carlo technique that eliminates the fermion sign problem plaguing simulations of systems of interacting electrons. The…
Monte Carlo methods are widely used for neutron transport simulations at least partly because of the accuracy they bring to the modeling of these problems. However, the computational burden associated with the slow convergence rate of Monte…
Aims. We present an implementation of an algorithm for 3D time-dependent Monte Carlo radiative transfer. It allows one to simulate temperature distributions as well as images and spectral energy distributions of the scattered light and…