Related papers: Local Simulation Algorithms for Coulomb Gases with…
We present a computationally efficient general first-principles based method for spin-lattice simulations for solids. Our method is based on a combination of atomistic spin dynamics and molecular dynamics, expressed through a spin-lattice…
Inaccurate description of the equilibrium can yield to spurious effects in gyrokinetic turbulence simulations. Also, the Vlasov solver and time integration schemes impact the conservation of physical quantities, especially in long-term…
A review of a recent theoretical investigation of the quantum transverse beam motion that has been developed in terms of a coupled system of nonlinear spinorial equations is carried out. This is done assuming that a relativistic…
This work outlines a Lattice Boltzmann Method (LBM) for geometrically and constitutively nonlinear solid mechanics to simulate large deformations under dynamic loading conditions. The method utilizes the moment chain approach, where the…
The deformability of soft condensed matter often requires modelling of hydrodynamical aspects to gain quantitative understanding. This, however, requires specialised methods that can resolve the multiscale nature of soft matter systems. We…
The physics of non-local exchange interactions in graphene sheets is studied within a $\pi$-orbital tight-binding model using a Hartree-Fock approximation and Coulomb interactions modified at short distances by lattice effects and at large…
A new computational method is presented to resolve hydrodynamic interactions acting on solid particles immersed in incompressible host fluids. In this method, boundaries between solid particles and host fluids are replaced with a continuous…
We introduce a lattice gas implementation that is based on coarse-graining a Molecular Dynamics (MD) simulation. Such a lattice gas is similar to standard lattice gases, but its collision operator is informed by an underlying MD simulation.…
In this paper, variational techniques are used to analyze the dynamics of nonholonomic mechanical systems with impacts. Implicit nonholonomic smooth Lagrangian and Hamiltonian systems are extended to a nonsmooth context appropriate for…
Here, we propose a platform based on ultra-cold fermionic molecules trapped in optical lattices to simulate nonadiabatic effects, as they appear in certain molecular dynamical problems. The idea consists of a judicious choice of two…
We present a new family of relativistic lattice kinetic schemes for the efficient simulation of relativistic flows in both strongly-interacting (fluid) and weakly-interacting (rarefied gas) regimes. The method can also deal with both…
In quantum mechanical many-body systems, long-range and anisotropic interactions promote rich spatial structure and can lead to quantum frustration, giving rise to a wealth of complex, strongly correlated quantum phases. Long-range…
We propose here a model and a numerical scheme to compute the motion of rigid particles interacting through the lubrication force. In the case of a particle approaching a plane, we propose an algorithm and prove its convergence towards the…
A new approach to simulating warm and hot dense matter that combines density functional theory based calculations of the electronic structure to classical molecular dynamics simulations with pair interaction potentials is presented. The new…
The lattice Boltzmann method can be used to simulate flow through porous media with full geometrical resolution. With such a direct numerical simulation, it becomes possible to study fundamental effects which are difficult to assess either…
In this paper, we present an efficient algorithm for the long time behavior of plasma simulations. We will focus on 4D drift-kinetic model, where the plasma's motion occurs in the plane perpendicular to the magnetic field and can be…
Particle-in-cell (PIC) simulations are essential for studying kinetic plasma processes, but they often suffer from statistical noise, especially in plasmas with fast flows. We have also found that the typical central difference scheme used…
The static as well as the dynamic behaviour of granular material are determined by dynamic {\it and} static friction. There are well known methods to include static friction in molecular dynamics simulations using scarcely understood…
Many biological processes are supported by special molecules, called motor proteins or molecular motors, that transport cellular cargoes along linear protein filaments and can reversibly associate to their tracks. Stimulated by these…
Complex colloidal fluids, such as emulsions stabilized by complex shaped particles, play an important role in many industrial applications. However, understanding their physics requires a study at sufficiently large length scales while…