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We discuss variance reduced simulations for an individual-based model of chemotaxis of bacteria with internal dynamics. The variance reduction is achieved via a coupling of this model with a simpler process in which the internal dynamics…
This paper presents a full-spectrum Green function methodology (which is valid, in particular, at and around Wood-anomaly frequencies) for evaluation of scattering by periodic arrays of cylinders of arbitrary cross section-with application…
The spectral energy density (SED) method is used to obtain the phonon dispersion of materials in molecular dynamics codes, e.g., LAMMPS. We show how the electric analog of the SED method can be done using commercial circuit simulators to…
We develop a method for computing the scattering of flexural waves off of a periodic wall or a periodic line of scatterers. These waves model the fluctuations of thin plates with periodic clamped, supported, or free edges. We use the…
A boundary integral equation method for the 3-D Helmholtz equation in multilayered media with many quasi-periodic layers is presented. Compared with conventional quasi-periodic Green's function method, the new method is robust at all…
Time-resolved spectroscopy is a powerful tool for probing electron dynamics in molecules and solids, revealing transient phenomena on sub-femtosecond timescales. The interpretation of experimental results is often enhanced by parallel…
Most of numerical methods for deterministic simulations of rarefied gas flows use the discrete velocity (or discrete ordinate) approximation. In this approach, the kinetic equation is approximated with a global velocity grid. The grid must…
Graph signal sampling is the problem of selecting a subset of representative graph vertices whose values can be used to interpolate missing values on the remaining graph vertices. Optimizing the choice of sampling set using concepts from…
We present a cut-cell method for the simulation of 2D incompressible flows past obstacles. It consists in using the MAC scheme on cartesian grids and imposing Dirchlet boundary conditions for the velocity field on the boundary of solid…
We introduce a quantum dot orbital tight-binding non-equilibrium Green's function approach for the simulation of novel solar cell devices where both absorption and conduction are mediated by quantum dot states. By the use of basis states…
Wave propagation and scattering problems in acoustics are often solved with boundary element methods. They lead to a discretization matrix that is typically dense and large: its size and condition number grow with increasing frequency. Yet,…
Based on Bardeen's perturbative approach to tunneling, we have found an expression for the current between tip and sample, which can be efficiently coded in order to perform fast ab initio simulations of STM images. Under the observation…
Most of deterministic solvers for rarefied gas dynamics use discrete velocity (or discrete ordinate) approximations of the distribution function on a Cartesian grid. This grid must be sufficiently large and fine to describe the distribution…
In this expository article, we present a systematic formal derivation of the Kubo formula for the linear-response current due to a time-harmonic electric field applied to non-interacting, spinless charged particles in a finite volume in the…
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…
Despite temperature rise being a first-order design constraint, traditional thermal estimation techniques have severe limitations in modeling critical aspects affecting the temperature in modern-day chips. Existing thermal modeling…
We present a novel scheme to the coverage problem, introducing a quantitative way to estimate the interaction between a block and its enviroment.This is achieved by setting a discrete version of Green`s theorem, specially adapted for Model…
We present a new meshless method for scalar diffusion equations which is motivated by their compatible discretizations on primal-dual grids. Unlike the latter though, our approach is truly meshless because it only requires the graph of…
This paper proposes a new Helmholtz decomposition based windowed Green function (HD-WGF) method for solving the time-harmonic elastic scattering problems on a half-space with Dirichlet boundary conditions in both 2D and 3D. The Helmholtz…
In this paper, a novel model-free wide-area damping control (WADC) method is proposed, which can achieve full decoupling of modes and damp multiple critical inter-area oscillations simultaneously using grid-connected voltage source…