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Due to decelerating gains in single-core CPU performance, computationally expensive simulations are increasingly executed on highly parallel hardware platforms. Agent-based simulations, where simulated entities act with a certain degree of…
Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations…
The never-ending computational demand from simulations of turbulence makes computational fluid dynamics (CFD) a prime application use case for current and future exascale systems. High-order finite element methods, such as the spectral…
Real-time coupled cluster (CC) methods have several advantages over their frequency-domain counterparts, namely, response and equation of motion CC theories. Broadband spectra, strong fields, and pulse manipulation allow for the simulation…
We simulate the electrical response of multiple disjoint biological 3D cells undergoing an electropermeabilization process. Instead of solving the boundary value problem in the unbounded volume, we reduce it to a system of boundary…
In this paper, two high order complex contour discretization methods are proposed to simulate wave propagation in locally perturbed periodic closed waveguides. As is well known the problem is not always uniquely solvable due to the…
Immersed boundary methods are extensively used for simulations of dynamic solid objects interacting with fluids due to their computational efficiency and modelling flexibility compared to body-fitted grid methods. However, thin geometries,…
I derive a temporally propagated uni-directional optical pulse equation valid in the few cycle limit. Temporal propagation is advantageous because it naturally preserves causality, unlike the competing spatially propagated models. The exact…
We present a method based on a time domain simulation of wave propagation that allows studying the optical response of a broad range of dielectric photonic structures. This method is particularly suitable for dealing with complex biological…
The cellular Potts model (CPM) is a powerful computational method for simulating collective spatiotemporal dynamics of biological cells. To drive the dynamics, CPMs rely on physics-inspired Hamiltonians. However, as first principles remain…
This paper deals with a construction of new algorithm: the modified trigonometric cubic B-Spline differential quadrature (MTB-DQM) for space discretization together with a time integration algorithm" for numerical computation of the…
This paper proposes to address the issue of complexity reduction for the numerical simulation of multiscale media in a quasi-periodic setting. We consider a stationary elliptic diffusion equation defined on a domain $D$ such that…
Spectroscopy is one of the most accurate probes of the molecular world. However, predicting molecular spectra accurately is computationally difficult because of the presence of entanglement between electronic and nuclear degrees of freedom.…
To attain the targeted data rates of next generation cellular networks requires dense deployment of small cells in addition to macro cells which provide wide coverage. Dynamic radio resource management is crucial to the success of such…
A technique to derive the propagation characteristics and field distributions of waves guided by scalar and tensorial reactance surfaces modulated by periodic or discrete Fourier spectrum functions in the propagation direction is presented.…
Many multicellular communities propagate signals in a directed manner via excitable waves. Cell-to-cell heterogeneity is a ubiquitous feature of multicellular communities, but the effects of heterogeneity on wave propagation are still…
In this paper I present a first attempt for a possible description of fluids dynamics by mean of a cellular automata technique. With the use of simple and elementary rules, based on random behaviour either, the model permits to obtain the…
We present a generalized temporal transfer matrix method (TTMM) for time-varying media that accurately captures wave dynamics in media operating at exceptional points (EPs). The method expands wave fields in the canonical basis of each…
Current GPU-accelerated supercomputers promise to enable large-scale simulations of turbulent flows. Lattice Boltzmann Methods (LBM) are particularly well-suited to fulfilling this promise due to their intrinsic compatibility with highly…
Scattering wave systems that are periodically modulated in time offer many new degrees of freedom to control waves both in spatial and frequency domains. Such systems, albeit linear, do not conserve frequency and require the adaptation of…