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We present a new multi-dimensional, robust, and cell-centered finite-volume scheme for the ideal MHD equations. This scheme relies on relaxation and splitting techniques and can be easily used at high order. A fully conservative version is…
Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…
Dynamical mean-field theory (DMFT) provides an optimal local approximation for correlated lattice systems by mapping the lattice onto a self-consistent effective impurity model. To account for the missing long-range correlations, we propose…
Real-world time series exhibit temporally structured uncertainty: volatility clusters in turbulent regimes, dissipates in stable periods, and shifts abruptly around structural breaks. Yet many probabilistic forecasting methods estimate…
An implicit causal space-time Galerkin scheme applied to the contrast current density volume integral equation gives rise to a marching-on-in-time scheme known as the MOT-JVIE, which is accelerated and stabilized via a fully embedded FIR…
Discrete Cosine Transform (DCT) can be used instead of conventional Discrete Fourier Transform (DFT) for the Orthogonal Frequency Division Multiplexing (OFDM) construction, which offers many advantages. In this paper, the…
Stochastic differential equations are ubiquitous modelling tools in physics and the sciences. In most modelling scenarios, random fluctuations driving dynamics or motion have some non-trivial temporal correlation structure, which renders…
Generalized dimensions of multifractal measures are usually seen as static objects, related to the scaling properties of suitable partition functions, or moments of measures of cells. When these measures are invariant for the flow of a…
The finite element simulation of dynamic wetting phenomena, requiring the computation of flow in a domain confined by intersecting a liquid-fluid free surface and a liquid-solid interface, with the three-phase contact line moving across the…
There is a class of problems that exhibit smooth behavior on macroscopic scales, where only a microscopic evolution law is known. Patch dynamics scheme of `equation-free multiscale modelling' is one of the techniques, which aims to extract…
Large scale Density Functional Theory (DFT) based electronic structure calculations are highly time consuming and scale poorly with system size. While semi-empirical approximations to DFT result in a reduction in computational time versus…
A general-purpose computational homogenization framework is proposed for the nonlinear dynamic analysis of membranes exhibiting complex microscale and/or mesoscale heterogeneity characterized by in-plane periodicity that cannot be…
In this work, we present a comprehensive numerical framework that couples numerical solutions of Maxwell's equations using the Finite-Difference Time-Domain (FDTD) approach, Molecular Dynamics (MD), and the Two-Temperature Model (TTM) to…
We seek to characterize the motility of mouse fibroblasts on 2D substrates. Utilizing automated tracking techniques, we find that cell trajectories are super-diffusive, where displacements scale faster than t^(1/2) in all directions. Two…
This paper presents a simple model that mimics quantum mechanics (QM) results without using complex wavefunctions or non-localities. The proposed model only uses integer-valued quantities and arithmetic operations, in particular assuming a…
Despite its widespread use in materials science, conventional molecular dynamics (MD) simulations are severely constrained by timescale limitations. To address this shortcoming, we propose an empirical formulation of accelerated MD method,…
We present a method to correct the magnetic properties of itinerant systems in local spin density approximation (LSDA) and we apply it to the ferromagnetic-paramagnetic transition under pressure in a typical itinerant system, Ni$_{3}$Al. We…
Motion trajectories offer reliable references for physics-based motion learning but suffer from sparsity, particularly in regions that lack sufficient data coverage. To address this challenge, we introduce a self-supervised, structured…
Discrete translational symmetry plays a fundamental role in condensed matter physics and lattice gauge theories, enabling the analysis of systems that would otherwise be intractable. Despite this, many open problems remain. Quantum…
We present a new method to accelerate real time-time dependent density functional theory (rt-TDDFT) calculations with hybrid exchange-correlation functionals. For large basis set, the computational bottleneck for large scale calculations is…