Related papers: Heterogeneous multiscale Monte Carlo simulations f…
Cancer radiomics is an emerging discipline promising to elucidate lesion phenotypes and tumor heterogeneity through patterns of enhancement, texture, morphology, and shape. The prevailing technique for image texture analysis relies on the…
The Generic Geant4 Simulation (GGS) is a package designed to speed-up the realization and deployment of Monte Carlo simulation software based on Geant4, for small- and medium-sized high-energy experiments. For many common use cases, the…
Tree tensor network states (TTNSs) combined with the density matrix renormalization group (DMRG) are emerging as powerful tools for vibrational and vibronic structure simulations in molecules with strong coupling and fluxionality. In this…
We have modeled the simultaneous first-order Fermi shock acceleration of protons, electrons, and helium nuclei by relativistic shocks. By parameterizing the particle diffusion, our steady-state Monte Carlo simulation allows us to follow…
We have developed HiNTS, the {\bf Hi}erarchical {\bf N}anoparticle {\bf T}ransport {\bf S}imulator, and adapted it to study commensuration effects in two classes of Nanoparticle (NP) solids: (1) a bilayer NP solid (BNS) with an energy…
A novel dose calculation approach was designed based on the application of LSTM network that processes the 3D patient/phantom geometry as a sequence of 2D computed tomography input slices yielding a corresponding sequence of 2D slices that…
Recently a two-Higgs-doublet model with maximal symmetry under generalised CP transformations, the MCPM, has been proposed. The theory features a unique fermion mass spectrum which, although not describing nature precisely, provides a good…
Sampling from high dimensional distributions is a computational bottleneck in many scientific applications. Hamiltonian Monte Carlo (HMC), and in particular the No-U-Turn Sampler (NUTS), are widely used, yet they struggle on problems with a…
Quantum-mechanically accurate reactive molecular dynamics (MD) at the scale of billions of atoms has been achieved for the heterogeneous catalytic system of H$_2$/Pt(111) using the FLARE Bayesian force field. This achievement provides…
In this work, we address the systematic biases and random errors stemming from finite step sizes encountered in diffusion simulations. We introduce the Effective Geometry Monte Carlo (EG-MC) simulation algorithm which modifies the geometry…
The structural evolution of laser-excited systems of gold has previously been measured through ultrafast MeV electron diffraction. However, there has been a long-standing inability of atomistic simulations to provide a consistent picture of…
Discrete particle simulation, a combined approach of computational fluid dynamics and discrete methods such as DEM (Discrete Element Method), DSMC (Direct Simulation Monte Carlo), SPH (Smoothed Particle Hydrodynamics), PIC…
Hamiltonian Monte-Carlo (HMC) and its auto-tuned variant, the No U-Turn Sampler (NUTS) can struggle to accurately sample distributions with complex geometries, e.g., varying curvature, due to their constant step size for leapfrog…
The Gaussian process state-space model (GPSSM) has attracted extensive attention for modeling complex nonlinear dynamical systems. However, the existing GPSSM employs separate Gaussian processes (GPs) for each latent state dimension,…
A Geant4-based Monte Carlo model for Heavy-Ion Therapy (MCHIT) is used to study radiation fields of H-1, He-4, Li-7 and C-12 beams with similar ranges (~160-180 mm) in water. Microdosimetry spectra are simulated for wall-less and walled…
This study introduces a framework that employs Gaussian Processes (GPs) to develop high-fidelity equation of state (EOS) tables, essential for modeling material properties across varying temperatures and pressures. GPs offer a robust…
The Hubbard model is one of the primary models for understanding the essential many-body physics in condensed matter systems such as Mott insulators and cuprate high-Tc superconductors. Recent advances in atomically precise fabrication in…
It is experimentally observed and theoretically proved that the distance between topmost layers of a metal surface has a contraction. However, well-known potentials such as Lennard-Jones and Morse potentials lead to an expansion of the…
Quantum Monte Carlo methods are powerful tools for studying quantum many-body systems but face difficulties in accessing excited states and in treating sign problems. We present a continuous-time path-integral Monte Carlo method for…
Effects of the choice of the freeze-out hypersurface and resonance decays on the HBT interferometry in relativistic heavy-ion collisions are studied in detail within a class of models with single freeze-out. The Monte-Carlo method, as…