Related papers: FEMSIM+HRMC: Simulation of and Structural Refineme…

Machine-learning interatomic potentials are widely used as computationally efficient surrogates for density functional theory in atomistic simulations, enabling large-scale, long-time modeling of materials systems. We investigate how…

Fourier ptychographic microscopy (FPM) is a recently proposed quantitative phase imaging technique with high resolution and wide field-of-view (FOV). In current FPM imaging platforms, systematic error sources come from the aberrations, LED…

A numerical model based on the finite-difference time-domain method is developed to simulate fluctuations which accompany the dephasing of atomic polarization and the decay of excited state's population. This model is based on the…

Fourier ptychographic microscopy (FPM) is a pivotal computational imaging technique that achieves phase and amplitude reconstruction with high resolution and wide field of view, using low numerical aperture objectives and LED array…

MRChem is a code for molecular electronic structure calculations, based on a multiwavelet adaptive basis representation. We provide a description of our implementation strategy and several benchmark calculations. Systems comprising more…

The local density of states of a degenerate semiconductor is investigated at low magnetic fields. In order to realize this experiment, we designed a strongly asymmetric double-barrier heterostructure with heavily doped contacts and study…

We implemented the derivative of the free energy functional with respect to the atom displacements, so called force, within the combination of Density Functional Theory and the Embedded Dynamical Mean Field Theory. We show that in…

We introduce an efficient approach to implement correlated many-body trial wave functions in auxiliary-field quantum Monte Carlo (AFQMC). To control the sign/phase problem in AFQMC, a constraint is derived from an exact gauge condition but…

We are interested in time-harmonic acoustic scattering by an impenetrable obstacle in a medium where the wavenumber is constant in an exterior unbounded subdomain and is possibly heterogeneous in a bounded subdomain. The associated…

We present a projection-based numerical integration technique to deal with embedded interface in finite element (FE) framework. The element cut by an embedded interface is denoted as a cut cell. We recognize elemental matrices of a cut cell…

Understanding how the brain encodes visual information is a central challenge in neuroscience and machine learning. A promising approach is to reconstruct visual stimuli, essentially images, from functional Magnetic Resonance Imaging (fMRI)…

In this paper, we consider the problem of preamble design in multiple-input multiple-output (MIMO) systems employing offset quadrature amplitude modulation based filter bank multicarrier (OQAM/FBMC) and propose a preamble optimization…

This paper focuses on the combined radar and communications problem and conducts a thorough analytical investigation on the effect of phase and frequency change on the communication and sensing functionality. First, we consider the…

Atom probe tomography (APT) helps elucidate the link between the nanoscale chemical variations and physical properties, but it has limited structural resolution. Field ion microscopy (FIM), a predecessor technique to APT, is capable of…

Ultracold alkali atoms provide experimentally accessible model systems for probing quantum states that manifest themselves at the macroscopic scale. Recent experimental realizations of superfluidity in dilute gases of ultracold fermionic…

Quantitative characterization of tissue properties, known as elasticity imaging, can be cast as solving an ill-posed inverse problem. The finite element methods (FEMs) in magnetic resonance elastography (MRE) imaging are based on solving a…

The phase field model is a widely used mathematical approach for describing crack propagation in continuum damage fractures. In the context of phase field fracture simulations, adaptive finite element methods (AFEM) are often employed to…

An implementation of the fast multiple method (FMM) is performed for magnetic systems with long-ranged dipolar interactions. Expansion in spherical harmonics of the original FMM is replaced by expansion of polynomials in Cartesian…

Force-distance curve experiments are commonly performed in Atomic Force Microscopy (AFM) to obtain the viscoelastic characteristics of materials, such as the storage and loss moduli or compliances. The classic methods used to obtain these…

Quantum simulation with ultracold atoms provides a versatile platform to emulate condensed-matter models. In particular, momentum-space lattices enable the realization of programmable tight-binding Hamiltonians. Here, we generalize this…