ﻻ يوجد ملخص باللغة العربية
We have linked together two contributions in the development of configurational thermostats, the BT thermostat and the SDC scheme. We have shown that recently proposed configurational thermostats are generalized and enriched in both understanding and content by the SDC scheme. We have presented the stochastic counterpart to the configurational thermostat.
We implement the statistically sound G-JF thermostat for Langevin Dynamics simulations into the ESPREesSo molecular package for large-scale simulations of soft matter systems. The implemented integration method is tested against the integrator curren
Some properties of a Local discontinuous Galerkin (LDG) algorithm are demonstrated for the problem of evaluting a second derivative $g = f_{xx}$ for a given $f$. (This is a somewhat unusual problem, but it is useful for understanding the initial tran
We expand on the previously published Gr{o}nbech-Jensen Farago (GJF) thermostat, which is a thermodynamically sound variation on the St{o}rmer-Verlet algorithm for simulating discrete-time Langevin equations. The GJF method has been demonstrated to g
A research and development (R&D) project related to the extension of the Geant4 toolkit has been recently launched to address fundamental methods in radiation transport simulation. The project focuses on simulation at different scales in the same exp
We develop numerical schemes for solving the isothermal compressible and incompressible equations of fluctuating hydrodynamics on a grid with staggered momenta. We develop a second-order accurate spatial discretization of the diffusive, advective and