Related papers: Implementing the Independent Reaction Time method …
Purpose: This work advances a Monte Carlo (MC) method to combine ionizing radiation physics with optical physics, in a manner which was implicitly designed for deployment with the most widely accessible parallelization and portability…
Numerical simulations of radiative processes in magnetized compact sources such as hot accretion disks around black holes, relativistic jets in active galaxies and gamma-ray bursts are complicated because the particle and photon…
Energetic particles continuously process water ice across astrophysical and planetary environments, from interstellar clouds and comets to icy planetary surfaces. Interpreting the resulting observables requires a physically grounded…
We describe an approach for incorporating radiative transfer into 3D hydrodynamic cosmological simulations. The method, while approximate, allows for a self-consistent treatment of self-shielding and shadowing, diffuse and point sources of…
Ab initio instanton rate theory is a computational method for rigorously including tunnelling effects into calculations of chemical reaction rates based on a potential-energy surface computed on the fly from electronic-structure theory.…
We present an efficient Monte Carlo method to simulate reaction-diffusion processes with spatially varying particle annihilation or transformation rates as it occurs for instance in the context of motor-driven intracellular transport. Like…
We study multiple ionization in proton collisions with water, methane, and ammonia molecules using an independent-atom model. Previous work on total (net) capture and ionization cross sections is extended to treat the multiple ionization…
Optical detection of alpha particle emitters in the environment by air radioluminescence is a new technology that enables sensing a radiological threat at safe distances, without putting personnel at risk or contaminating equipment.…
We show that reaction-diffusion processes in three dimensions can be efficiently handled by event-driven numerical simulations, based on statistical waiting times (Gillespie's Monte-Carlo method). The algorithm is efficient for dilute…
The construction of modern detectors used in high-energy physics experiments is typically guided by modeling with the Geant4 toolkit to evaluate detector performance in terms of geometrical acceptance and detection efficiency. Several…
In this work we present new scalable, information theory-based variational methods for the efficient model reduction of high-dimensional deterministic and stochastic reaction networks. The proposed methodology combines, (a) information…
A linear Breit-Wheeler module for the code Geant4 has been developed. This allows signal-to-noise ratio calculations of linear Breit-Wheeler detection experiments to be performed within a single framework. The interaction between two photon…
In this article we propose a unified framework in order to study reaction-diffusion systems containing self- and cross-diffusion using a free energy approach. This framework naturally leads to the formulation of an energy law, and to a…
In this work, we present an extensive computational study on the Ziff-Gulari-Barshad (ZGB) model extended in order to include the spatial diffusion of oxygen atoms and carbon monoxide molecules, both adsorbed on the surface. In our…
A R&D project has been launched in 2009 to address fundamental methods in radiation transport simulation and revisit Geant4 kernel design to cope with new experimental requirements. The project focuses on simulation at different scales in…
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,…
Stochastic modeling of reaction networks is a framework used to describe the time evolution of many natural and artificial systems, including, biochemical reactive systems at the molecular level, viral kinetics, the spread of epidemic…
The system-level dynamics of multivalent biomolecular interactions can be simulated using a rule-based kinetic Monte Carlo method in which a rejection sampling strategy is used to generate reaction events. This method becomes inefficient…
A new Monte-Carlo algorithm for calculating time-dependent radiative-transfer under the assumption of LTE is presented. Unlike flux-limited diffusion the method is polychromatic, includes scattering, and is able to treat the optically thick…
Stability and convergence of a time-weighted discrete scheme with nonuniform time steps are established for linear reaction-subdiffusion equations. The Caupto derivative is approximated at an offset point by using linear and quadratic…