Related papers: Beyond Born-Mayer: Improved models for short-range…
Understanding interactions between membranes requires measurements on well-controlled systems close to natural conditions, in which fluctuations play an important role. We have determined, by grazing incidence X-ray scattering, the…
We develop a relativistic lattice Boltzmann (LB) model, providing a more accurate description of dissipative phenomena in relativistic hydrodynamics than previously available with existing LB schemes. The procedure applies to the…
Using new scaling parameters $\beta_i$, we derive simple expressions for the excess thermodynamic properties of the Mean Spherical Approximation (MSA) for the ion-dipole mixture. For the MSA and its extensions we have shown that the…
Methodologies for creating reactive potential energy surfaces from molecular mechanics force-fields are becoming increasingly popular. To date, molecular mechanics force-fields use harmonic expressions to treat bonding stretches, which is a…
Different versions of the effective-range function method for charged particle collisions are studied and compared. In addition, a novel derivation of the standard effective-range function is presented from the analysis of Coulomb wave…
Accurate calculations of solvation free energies remain a central challenge in molecular simulations, often requiring extensive sampling and numerous alchemical intermediates to ensure sufficient overlap between phase-space distributions of…
Several stochastic simulation algorithms (SSAs) have been recently proposed for modelling reaction-diffusion processes in cellular and molecular biology. In this paper, two commonly used SSAs are studied. The first SSA is an on-lattice…
We have studied the extended Hubbard model with pair hopping in the atomic limit for arbitrary electron density and chemical potential and focus on paramagnetic effects of the external magnetic field. The Hamiltonian considered consists of…
In this paper, we propose an operator-inference-based reduction approach for contact problems, leveraging snapshots from simulations without active contact. Contact problems are solved using adjoint methods, by switching to the dual system,…
Electrical charging of parallel plates confining a model ionic liquid down to nanoscale distances yields a variety of charge-induced changes in the structural features of the confined film. That includes even-odd switching of the structural…
We consider a two-component Fermi gas with a contact interaction from the BCS regime to the unitary limit. Starting from the idea that many-body effects should not depend on short-distance or high-momentum physics which is encoded in the…
The Lennard-Jones (LJ) potential is a cornerstone of Molecular Dynamics (MD) simulations and among the most widely used computational kernels in science. The potential models atomistic attraction and repulsion with century old prescribed…
We present a generalization of the inertial coupling (IC) [Usabiaga et al. J. Comp. Phys. 2013] which permits the resolution of radiation forces on small particles with arbitrary acoustic contrast factor. The IC method is based on a…
We present a detailed formalism of the microscopic particle-rotor model for hypernuclear low-lying states based on a covariant density functional theory. In this method, the hypernuclear states are constructed by coupling a hyperon to…
The exchange-only optimized effective potential method is implemented with the use of Slater-type basis functions, seeking for an alternative to the standard methods of solution with some computational advantages. This procedure has been…
This paper has been prepared by the Symphony collaboration (University of Warsaw, Uniwersytet Jagiello\'nski, DESY/CNR and ICFO) on the occasion of the 25th anniversary of the "simple man's models" which underlie most of the phenomena that…
We reexamine several issues related to the physics of scaling in electron scattering from nuclei. A basic model is presented in which an assumed form for the momentum distribution having both long- and short-range contributions is…
Coulomb collisions in plasmas are typically modeled using the Boltzmann collision operator, or its variants, which apply to weakly magnetized plasmas in which the typical gyroradius of particles significantly exceeds the Debye length.…
We present an extension of the multiparticle collision dynamics method for flows with complex interfaces, including supramolecular near-contact interactions mimicking the effect of surfactants. The new method is demonstrated for the case of…
We show that under appropriate conditions the impact of a very short and intense laser pulse onto a plasma causes the expulsion of surface electrons with high energy in the direction opposite to the one of propagation of the pulse. This is…