Related papers: Constant-force approach to discontinuous potential…
We theoretically investigate the emergence of lateral (recoil) forces acting on generic dipole-type emitters in the vicinity of a reciprocal translation-invariant substrate. Surprisingly, we find that for linearly-polarized electric dipoles…
Computer simulations are used to study a three-dimensional polydisperse model glassformer in a replica-coupling setup where an attractive field $\propto - \varepsilon Q$ of strength $\varepsilon$ can adjust the similarity of the system to a…
We propose a method to directly couple molecular dynamics, finite element method and particle-in-cell techniques to simulate metal surface response to high electric fields. We use this method to simulate the evolution of a field emitting…
Diffusion Monte Carlo (DMC) based on fixed-node approximation has enjoyed significant developments in the past decades and become one of the go-to methods when accurate ground state energy of molecules and materials is needed. The remaining…
Using molecular dynamic simulations we study a family of continuous core-softened potentials consisting of a hard core, a shoulder at closest distances and an attractive well at further distance. The repulsive shoulder and the well…
Recently, the problem of boundary stabilization for unstable linear constant-coefficient coupled reaction-diffusion systems was solved by means of the backstepping method. The extension of this result to systems with advection terms and…
When two macromolecules come very near in a fluid, the surrounding molecules, having finite volume, are less likely to get in between. This leads to a pressure difference manifesting as an entropic attraction, called depletion force. Here…
Brownian particles interacting via repulsive soft-core potentials can spontaneously aggregate, despite repelling each other, and form periodic crystals of particle clusters. We study this phenomenon in low-dimensional situations (one and…
We study the effective forces acting between colloidal particles trapped at a fluid interface which itself is exposed to a pressure field. To this end we apply what we call the ``force approach'', which relies solely on the condition of…
We show that a noncollapsing solution below r_c can be constructed for the dynamics of randomly forced particle interacting with a dissipative boundary. The scaling analysis predicts a divergent collision rate at the boundary for the…
One of the important features of nuclear forces is their strong repulsive nature at short ($\le 0.5-0.6$~Fm) distances which prevents atomic nuclei from collapsing, thus guarantying the stability for the visible matter. However the…
The system of polymers in solvent mixtures is a widely-used model to represent biomolecular condensates in intracellular environments. Here, we apply a variational theory to control the center-of-mass of two polymers and perform the first…
Inferential methods can be used to integrate experimental informations and molecular simulations. The maximum entropy principle provides a framework for using equilibrium experimental data and it has been shown that replica-averaged…
Aside from the Volterra field, dislocations create a core field, which can be modeled in linear anisotropic elasticity theory with force and dislocation dipoles. We derive an expression of the elastic energy of a dislocation taking full…
The superfluid-crystal quantum phase transition of a system of purely repulsive dipolar bosons in two dimensions is studied by Quantum Monte Carlo simulations at zero temperature. We determine freezing and melting densities, and estimate…
The basic idea of fast Monte Carlo (MC) simulations is to perform particle-based MC simulations with the excluded-volume interactions modeled by "soft" repulsive potentials that allow particle overlapping. This gives much faster system…
A co-polycondensation reaction is discussed analytically and by Monte-Carlo simulations where two reactive units compete for reactions with an alternating third reactive unit, whereby irreversible reactions replace bonds which are able to…
This paper addresses the problem of consistent energy-based coupling of atomistic and continuum models of materials, limited to zero-temperature statics of simple crystals. It has been widely recognized that the most practical coupled…
Over the past few decades the experimental literature has consistently reported observations of attraction between like-charged colloidal particles and macromolecules in solution. Examples include nucleic acids and colloidal particles in…
We propose two efficient algorithms for configurational sampling of systems with rough energy landscape. The first one is a new method for the determination of the multicanonical weight factor. In this method a short replica-exchange…