相关论文: Adiabatic absorbers in photonics simulations with …
A galvanic displacement reaction-based, room-temperature "dip-and-dry" technique is demonstrated for fabricating selectively solar-absorbing plasmonic nanostructure-coated foils (PNFs). The technique, which allows for facile tuning of the…
During the last two decades density functional based linear response approaches have become the de facto standard for the calculation of optical properties of small and medium-sized molecules. At the heart of these methods is the solution…
The direct-forcing immersed boundary method (DF-IBM) algorithm previously developed by the authors is extended by coupling the Navier-Stokes equations with the Newton-Euler equations for rigid body dynamics within the DF-IBM framework. This…
In this work, we propose a method for the compression of the coupling matrix in volume\hyp surface integral equation (VSIE) formulations. VSIE methods are used for electromagnetic analysis in magnetic resonance imaging (MRI) applications,…
This paper analyzes the accuracy of the standard Yee finite-difference time-domain (FDTD) scheme for simulating normal incidence of harmonic plane waves on planar interfaces between lossless, linear, homogeneous, isotropic media. Unlike…
We present a novel Front-Tracking method, the Edge-Based Interface Tracking (EBIT) method for multiphase flow simulations. In the EBIT method, the markers are located on the grid edges and the interface can be reconstructed without storing…
Electrical Impedance Tomography (EIT) provides a non-invasive, portable imaging modality with significant potential in medical and industrial applications. Despite its advantages, EIT encounters two primary challenges: the ill-posed nature…
Deep generative models have gained recent traction in accelerated MRI reconstruction. Diffusion priors are particularly promising given their representational fidelity. Instead of the target transformation from undersampled to fully-sampled…
In this manuscript, we extend the variational multiscale enrichment (VME) method to model the dynamic response of hyperelastic materials undergoing large deformations. This approach enables the simulation of wave propagation under…
We investigate a hybrid inverse problem in fluorescence ultrasound modulated optical tomography (fUMOT) in the diffusive regime. We prove that the absorption coefficient of the fluorophores at the excitation frequency and the quantum…
Ab initio molecular dynamics (AIMD) based on density functional theory (DFT) has become a workhorse for studying the structure, dynamics, and reactions in condensed matter systems. Currently, AIMD simulations are primarily carried out at…
Non-fullerene acceptors (NFAs) are excellent light harvesters, yet the origin of such high optical extinction is not well understood. In this work, we investigate the absorption strength of NFAs by building a database of time-dependent…
Non-adiabatic molecular dynamics (NAMD) simulations have become an indispensable tool for investigating excited-state dynamics in solids. In this work, we propose a general framework, N$^2$AMD which employs an E(3)-equivariant deep neural…
We propose Fourier transform (FT) method for processing images of extensive air showers (EAS) detected by imaging atmospheric Cherenkov telescopes (IACT) used in the very high energy (VHE) gamma-ray astronomy. The method is based on the…
The well-known discrete Fourier transform (DFT) can easily be generalized to arbitrary nodes in the spatial domain. The fast procedure for this generalization is referred to as nonequispaced fast Fourier transform (NFFT). Various…
A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…
Many applications seek to measure a sample's absorption coefficient spectrum to retrieve the chemical makeup. Many real world samples are optically turbid, causing scattering confounds which many commercial spectrometers cannot address.…
Incorporating unstructured data into physical models is a challenging problem that is emerging in data assimilation. Traditional approaches focus on well-defined observation operators whose functional forms are typically assumed to be…
Representation learning for the electronic structure problem is a major challenge of machine learning in computational condensed matter and materials physics. Within quantum mechanical first principles approaches, Kohn-Sham density…
Direction of arrival estimation (DoAE) aims at tracking a sound in azimuth and elevation. Recent advancements include data-driven models with inputs derived from ambisonics intensity vectors or correlations between channels in a microphone…