Related papers: Dynamic Load Balancing for PIC code using Eulerian…
We propose a method of free energy calculation for a system of interacting particles arranged in a Bravais lattice. It will be shown how to treat divergences for infinite unbounded systems with "catastrophic" potetntials like Coulomb and…
Soft matter materials and polymers are widely used in the controlled delivery of drugs. Simulation and modeling provide insight at the atomic scale enabling a level of control unavailable to experiments. We present a workflow protocol for…
Particle acceleration in collisionless plasma systems is a central question in astroplasma and astroparticle physics. The structure of the acceleration regions, electron-ion energy equilibration, preacceleration of particles at shocks to…
The recently developed energy conserving semi-implicit method (ECsim) for PIC simulation is applied to multiple scale problems where the electron-scale physics needs to be only partially retained and the interest is on the macroscopic or…
A recently introduced particle-based model for fluid dynamics with effective excluded volume interactions is analyzed in detail. The interactions are modeled by means of stochastic multiparticle collisions which are biased and depend on…
By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimisation framework based on the…
We describe Pegasus, a new hybrid-kinetic particle-in-cell code tailored for the study of astrophysical plasma dynamics. The code incorporates an energy-conserving particle integrator into a stable, second-order--accurate, three-stage…
It is argued that continuum realisations of distributions of collisionless charged particles should accommodate a dynamically evolving number of electric currents even if the continuum is composed of only one species of particle, such as…
We propose in this paper a Proper Generalized Decomposition (PGD) approach for the solution of problems in linear elastodynamics. The novelty of the work lies in the development of weak formulations of the PGD problems based on the…
This article deals with the efficient and accurate computation of the electrostatic forces between charged, spherical dielectric particles undergoing mutual polarisation. We use the spectral Galerkin boundary integral equation framework…
In parallel computing, a problem is divided into a set of smaller tasks that are distributed across multiple processing elements. Balancing the load of the processing elements is key to achieving good performance and scalability. If the…
A scheme which allows to compute the dynamics of strongly correlated classical ions embedded into a partiallzy ionized quantum plasma by first principles molecular dynamics is presented. The dynamically screened dust approach of Joyce and…
We introduce an extension of the particle-in-cell (PIC) method that captures the Landau collisional effects in the Vlasov-Maxwell-Landau equations. The method arises from a regularisation of the variational formulation of the Landau…
This paper presents a millisecond-level look-ahead control algorithm for energy storage with constant space complexity and worst-case linear run-time complexity. The algorithm connects the optimal control with the Lagrangian multiplier…
Accurate modelling of electrostatic interactions and charge transfer is fundamental to computational chemistry, yet most machine learning interatomic potentials (MLIPs) rely on local atomic descriptors that cannot capture long-range…
We present a method for integrating the cosmological hydrodynamical equations including a collisionless dark matter component. For modelling the baryonic matter component, we use the Piecewise Parabolic Method (PPM) which is a high-accuracy…
We analyze a power distribution line with high penetration of distributed generation and strong variations of power consumption and generation levels. In the presence of uncertainty the statistical description of the system is required to…
Gyrocenter dynamics of charged particles plays a fundamental role in plasma physics. In particular, accuracy and conservation of energy are important features for correctly performing long-time simulations. For this purpose, we here propose…
High precision atomic data is indispensable for experiments involving studies of fundamental interactions, astrophysics, atomic clocks, plasma science, and others. We develop new parallel atomic structure codes and explore the difficulties…
We study the geometric particle-in-cell methods for an electrostatic hybrid plasma model. In this model, ions are described by the fully kinetic equations, electron density is determined by the Boltzmann relation, and space-charge effects…