Related papers: DBFFT: A displacement based FFT approach for non-l…

This paper proposes a new sampling-based kinodynamic motion planning algorithm, called FMT*PFF, for nonlinear systems. It exploits the novel idea of dimensionality reduction using partial-final-state-free (PFF) optimal controllers.With the…

Density Functional Theory (DFT) is widely used for first-principles simulations in chemistry and materials science, but its computational cost remains a key limitation for large systems. Motivated by recent advances in ML-based…

While density functional theory (DFT) serves as a prevalent computational approach in electronic structure calculations, its computational demands and scalability limitations persist. Recently, leveraging neural networks to parameterize the…

While density functional theory (DFT) is widely applied for its combination of cost and accuracy, corrections (e.g., DFT+U) that improve it are often needed to tackle correlated transition-metal chemistry. In principle, the functional form…

Efficiency and reliability are critical in robotic bin-picking as they directly impact the productivity of automated industrial processes. However, traditional approaches, demanding static objects and fixed collisions, lead to deployment…

An important ingredient of any moving-mesh method for fluid-structure interaction (FSI) problems is the mesh deformation technique (MDT) used to adapt the computational mesh in the moving fluid domain. An ideal technique is computationally…

In the current work, a number of algorithms are developed and compared for the numerical solution of periodic (quasi-static) linear elastic mechanical boundary-value problems (BVPs) based on two different discretizations of Fourier series.…

We develop the basic building blocks of a frequency domain framework for drawing statistical inferences on the second-order structure of a stationary sequence of functional data. The key element in such a context is the spectral density…

How could the Fourier and other transforms be naturally discovered if one didn't know how to postulate them? In the case of the Discrete Fourier Transform (DFT), we show how it arises naturally out of analysis of circulant matrices. In…

Density Functional Theory (DFT) is a pivotal method within quantum chemistry and materials science, with its core involving the construction and solution of the Kohn-Sham Hamiltonian. Despite its importance, the application of DFT is…

Nonintegrable systems thermalize, leading to the emergence of fluctuating hydrodynamics. Typically, this hydrodynamics is diffusive. We use the effective field theory (EFT) of diffusion to compute higher-point functions of conserved…

Location of non-stationary forced oscillation (FO) sources can be a challenging task, especially in cases under resonance condition with natural system modes, where the magnitudes of the oscillations could be greater in places far from the…

Delocalization errors, such as charge-transfer and some self-interaction errors, plague computationally-efficient and otherwise-accurate density functional approximations (DFAs). Evaluating a semi-local DFA non-self-consistently on the…

The aggregated unfitted finite element method (AgFEM) is a methodology recently introduced in order to address conditioning and stability problems associated with embedded, unfitted, or extended finite element methods. The method is based…

Although the classical density functional theory (DFT) of inhomogeneous fluids was formulated more than four decades ago, its application to broken symmetry phases of molecular systems remained a challenge. Approximate free energy…

This paper proposes an anti-interference affine frequency division multiplexing (AFDM) system to ensure reliability and resource efficiency under malicious high-power interference originating from adversarial devices in high-mobility…

The graph Fourier transform (GFT) is a fundamental tool in graph signal processing and has recently been extended to the graph fractional Fourier transform (GFRFT). Existing sampling methods in the GFRFT domain are primarily designed to…

High-order accurate discontinuous Galerkin (DG) methods have emerged as powerful tools for solving partial differential equations such as the compressible Navier-Stokes equations due to their excellent dispersion-dissipation properties and…

We present an inhomogeneous dynamical mean field theory (I-DMFT) that is suitable to investigate electron-lattice interactions in non-translationally invariant and/or inhomogeneous systems. The presented approach, whose only assumption is…

This work is directed to uncertainty quantification of homogenized effective properties for composite materials with complex, three dimensional microstructure. The uncertainties arise in the material parameters of the single constituents as…