Related papers: Two center multipole expansion method: application…
We consider a pair of dipoles for which direct electrostatic dipole-dipole interactions may be significantly larger than the coupling to transverse radiation. We derive a master equation using the Coulomb gauge, which naturally enables us…
We study a leader-follower system of interacting particles subject to feedback control and derive its mean-field limits through a two-step passage: first to a micro-macro system coupling leader particles with a follower fluid, and then to a…
We propose an interaction flow scheme that sums up the perturbation expansion of many-particle systems by successively increasing the interaction strength. It combines the unbiasedness of renormalization group methods with the simplicity of…
The calculation of potential energy surfaces for quantum dynamics can be a time consuming task -- especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm…
We introduce interacting particle Markov chain Monte Carlo (iPMCMC), a PMCMC method based on an interacting pool of standard and conditional sequential Monte Carlo samplers. Like related methods, iPMCMC is a Markov chain Monte Carlo sampler…
In finite-size scaling analyses of Monte Carlo simulations of second-order phase transitions one often needs an extended temperature/energy range around the critical point. By combining the replica-exchange algorithm with cluster updates…
We study exciton quantum transfer along a molecular chain whilst accounting for the effects of permanent dipoles that are induced by charge displacements in the molecular orbitals. These effects are typically neglected as they do not arise…
We study two interacting particles in a random potential chain by means of the transfer matrix method. The dependence of the two-particle localization length $\lambda_2$ on disorder and interaction strength is investigated. Our results…
This paper introduces a novel approach to algebraic multigrid methods for large systems of linear equations coming from finite element discretizations of certain elliptic second order partial differential equations. Based on a discrete…
Discriminating between correct and incorrect substrates is a core process in biology but how is energy apportioned between the conflicting demands of accuracy ($\mu$), speed ($\sigma$) and total entropy production rate ($P$)? Previous…
We propose a novel statistical approach to the analysis of experimental data obtained in nucleus-nucleus collisions at high energies which borrows from methods developed within the context of Random Matrix Theory. It is applied to the…
A new Markov Chain Monte Carlo method for simulating the dynamics of molecular systems characterized by hard-core interactions is introduced. In contrast to traditional Kinetic Monte Carlo approaches, where the state of the system is…
Light-matter interaction models invariably rely on the multipole expansion of the electromagnetic potentials generated by complex charge distributions. These multipoles are typically taken to be traceless, however, for a correct evaluation…
We introduce a new numerical method for the time-dependent Maxwell equations on unstructured meshes in two space dimensions. This relies on the introduction of a new mesh, which is the barycentric-dual cellular complex of the starting…
We propose a new multi-scale molecular dynamics simulation method which can achieve high accuracy and high sampling efficiency simultaneously without aforehand knowledge of the coarse grained (CG) potential and test it for a biomolecular…
New method for ab initio calculations of the properties of large size system based on phase-amplitude functional is presented. It is shown that Schrodinger equation for many electrons complex system including large size molecules, or…
In this work the double vector meson production in two-photon interactions at high energies is investigated considering saturation physics. We extend the color dipole picture for this process and study the energy and virtuality dependence…
We propose a new class of interacting Markov chain Monte Carlo (MCMC) algorithms designed for increasing the efficiency of a modified multiple-try Metropolis (MTM) algorithm. The extension with respect to the existing MCMC literature is…
We review three different approaches for the calculation of electromagnetic multipoles, namely the Cartesian primitive multipoles, the Cartesian irreducible multipoles and the spherical multipoles. We identify the latter as the best suited…
In this paper we present an efficient algorithm for bivariate interpolation, which is based on the use of the partition of unity method for constructing a global interpolant. It is obtained by combining local radial basis function…