Related papers: Approximation of forces and torques from anisotrop…
Force matching is an established technique to generate effective potentials for molecular dynamics simulations from first-principles data. This method has been implemented in the open source code potfit. Here, we present a review of the…
The forcing of particles in turbulent environments influences dynamical properties pertinent to many fundamental applications involving particle-flow interactions. Current study explores the determination of forcing for one-way coupled…
Acoustophoresis deals with the manipulation of sub-wavelength scatterers in an incident acoustic field. The geometric details of manipulated particles are often neglected by replacing them with equivalent symmetric geometries such as…
To facilitate the design and optimization of nanomaterials for a given application it is necessary to understand the relationship between structure and physical properties. For large nanomaterials, there is imprecise structural information…
We derive and introduce anisotropic effective pair potentials to coarse-grain solutions of semiflexible rings polymers of various lengths. The system has been recently investigated by means of full monomer-resolved computer simulations,…
Interatomic potentials approximate the potential energy of atoms as a function of their coordinates. Their main application is the effective simulation of many-atom systems. Here, we review empirical interatomic potentials designed to…
Numerical simulation of particle motion in fluids at low particle Reynolds numbers is often based on empirical force and torque models obtained by fitting force and torque from ab-initio computations for simple particle shapes such as…
A modification of the Adaptive Biasing Force method is introduced, in which the free energy is approximated by a sum of tensor products of one-dimensional functions. This enables to handle a larger number of reaction coordinates than the…
Force-based multiphysics coupling methods have become popular since they provide a simple and efficient coupling mechanism, avoiding the difficulties in formulating and implementing a consistent coupling energy. They are also the only known…
In this work, we study the acoustically mediated interaction forces among multiple well-separated spherical particles trapped in the same node or antinode plane of a standing wave. An analytical expression of the acoustic interaction force…
This work aims to describe a mathematical model and a numerical method to simulate a thin anisotropic composite membrane moving and deforming in 3D space under a dynamic load of an arbitrary time and space profile. The model and the method…
A three-body potential function can account for interactions among triples of particles which are uncaptured by pairwise interaction functions such as Coulombic or Lennard-Jones potentials. Likewise, a multibody potential of order $n$ can…
Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, "replica" ensemble of walkers, whose population evolves in…
We apply the modern technique of approximation of multivariate functions - tensor train cross approximation - to the problem of the description of physical interactions between complex-shaped bodies in a context of computational…
In nanophotonics, multipole framework has become an indispensable theoretical tool for analyzing subwavelength meta-atoms and their radiation properties. This work presents higher-order exact dynamic polarizability (alpha) tensors, which…
Developing deterministic neighborhood-informed point-particle closure models using machine learning has garnered interest in recent times from dispersed multiphase flow community. The robustness of neural models for this complex multi-body…
The suggested approach makes it possible to produce a consistent description of motions of a physical system. It is shown that the concept of force fields defining the systems dynamics is equivalent to the choice of the corresponding metric…
Photophoretic forces, several orders of magnitude stronger than radiation pressure, enable particle trapping at remarkably low optical intensities and have opened pathways to applications in aerosol science, free-space 3D volumetric…
A cold gas of particles with anisotropic interactions of general form, due to a polarizing field, is studied. Special cases are atoms or molecules with dipole-dipole or quadrupole-quadrupole interactions. It is shown that the angular…
In the context of data-driven control of nonlinear systems, many approaches lack of rigorous guarantees, call for nonconvex optimization, or require knowledge of a function basis containing the system dynamics. To tackle these drawbacks, we…