相关论文: Implementing the Independent Reaction Time method …
We present a general approach to isolate chemical reaction mechanism as an independently controllable variable across chemically distinct systems. Modern approaches to reduce the computational expense of molecular dynamics simulations often…
We study the coupling of hydrodynamics and reactions in simulations of the double detonation model for Type Ia supernovae. When assessing the convergence of simulations, the focus is usually on spatial resolution; however, the method of…
To achieve efficient and accurate long-time integration, we propose a fast, accurate, and stable high-order numerical method for solving fractional-in-space reaction-diffusion equations. The proposed method is explicit in nature and…
A recently developed model chemistry (jun-Cheap) has been slightly modified and proposed as an effective, reliable and parameter-free scheme for the computation of accurate reaction rates with special reference to astrochemical and…
We present {\gamma} spectroscopy validation measurements for the Geant4 radioactive decay simulation for a selected range of isotopes using a simple experimental setup. Using these results we point out problems in the decay simulation and…
Novel radiotherapy techniques like synchrotron X-ray microbeam radiation therapy (MRT), require fast dose distribution predictions that are accurate at the sub-mm level, especially close to tissue/bone/air interfaces. Monte Carlo physics…
The development of computational models for the numerical simulation of chemically reacting flows operating in the turbulent regime requires the solution of partial differential equations that represent the balance of mass, linear momentum,…
Discrete-state, continuous-time Markov models are becoming commonplace in the modelling of biochemical processes. The mathematical formulations that such models lead to are opaque, and, due to their complexity, are often considered…
A version of Geant4 has been developed to treat high-energy proton radiography. This article presents the results of calculations simulating the effects of nuclear elastic scattering for various test step wedges. Comparisons with…
This paper deals also with a problem of gas absorption accompanied by an instantaneous, irreversible reaction in the liquid layer. The well-known methods for calculating such processes are based usually on the certain amendments to…
CMS experiment is using Geant4 for Monte-Carlo simulation of the detector setup. Validation of physics processes describing hadronic showers is a major concern in view of getting a proper description of jets and missing energy for signal…
Geant4 is a Monte Carlo simulation framework for the description of interactions of particles and matter. Starting with version 8.2 a new package of QED physics processes is available, allowing for the studies of interactions of polarised…
The purpose of this paper is twofold. First, we present the extension of the Li\`ege Intranuclear Cascade model to reactions induced by light ions. Second, we describe the C++ version of the code, which it is physics-wise equivalent to the…
Sampled structure sequences obtained, for instance, from real-time reactivity explorations or first-principles molecular dynamics simulations contain valuable information about chemical reactivity. Eventually, such sequences allow for the…
We present a general formalism for computing self-consistent, numerical solutions to the time-dependent radiative transfer equation in low velocity, multi-level ions undergoing radiative interactions. Recent studies of time-dependent…
We present an application of automatic differentiation for particle transport through matter using a Geant4-like radiation transport simulation with a full electromagnetic physics model. When differentiating this step-based transport, we…
We develop a new relativistic radiation hydrodynamics code based on the Monte-Carlo algorithm. In this code, we implement a new scheme to achieve the second-order accuracy in time in the limit of a large packet number for solving the…
A procedure of space proton-induced Soft Error Rate calculation based on heavy ion testing data is proposed. The approach relies on Geant4-assisted Monte Carlo simulation of the secondary particle LET spectra produced by proton…
In this paper we present a method to generate independent samples for a general random variable, either continuous or discrete. The algorithm is an extension of the acceptance-rejection method, and it is particularly useful for kinetic…
We present a history-dependent Monte Carlo scheme for the efficient calculation of the free-energy of quantum systems, inspired by the Wang-Landau sampling and metadynamics method. When embedded in a path integral formulation, it is of…