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Traditional microperforated panels (MPPs) and metamaterial-based sound absorbers rely on local resonances or multi-resonator designs, which limit their bandwidth, angular applicability, and ease of fabrication. Leveraging the reciprocity…
We demonstrate bending of light on the same side of the normal in a free standing corrugated metal film under bi-directional illumination. Coherent perfect absorption (CPA) is exploited to suppress the specular zeroth order leading to…
Random Phase Approximation (RPA) is the theory most commonly used to describe the excitations of many-body systems. In this article, the secular equations of the theory are obtained by using three different approaches: the equation of…
The finite volume algorithm for absorption correction developed by Wunch and Prewitt is examined. This algorithm is based on the numerical integration of the transmission function where three-dimensional quadratic surfaces define the sample…
The analytical calculation of the complete $\alpha\,(Z\,\alpha)^6$ one-loop radiative correction to energies of two-body systems with the angular momenta $l>0$, consisting of a pointlike particle and an extended-size nucleus with arbitrary…
This paper applies the Recursive Projection Method (RPM) to the problem of finding the effective mechanical response of a periodic heterogeneous solid. Previous works apply the Fast Fourier Transform (FFT) in combination with various…
Iterative phase retrieval algorithms typically employ projections onto constraint subspaces to recover the unknown phases in the Fourier transform of an image, or, in the case of x-ray crystallography, the electron density of a molecule.…
We present an efficient point-particle approach to simulate reaction-diffusion processes of spherical absorbing particles in the diffusion-limited regime, as simple models of cellular uptake. The exact solution for a single absorber is used…
Exploiting the dynamics of Plasmonic Parametric Resonance (PPR), we introduce the theory of Plasmonic Parametric Absorbers (PPA). The key insight informing the PPA idea is that in the PPR process a pump field experiences an extinction rate…
One of the key limitations of Molecular Dynamics simulations is the computational intractability of sampling protein conformational landscapes associated with either large system size or long timescales. To overcome this bottleneck, we…
In this paper, we apply multi-task Gaussian Process (MT-GP) to show that the adsorption energy of small adsorbates on transition metal surfaces can be modeled to a high level of fidelity using data from multiple sources, taking advantage of…
By judicious use of extrapolations to the 1-particle basis set limit and $n$-particle calibration techniques, total atomization energies of molecules with up to four heavy atoms can be obtained with calibration accuracy (1 kJ/mol or better,…
As a model system of the adsorption process of anti-corrosion additives on a metal surface, molecular dynamics simulations of benzotriazole (BTA) molecules with copper slabs were completed. As a force field, ReaxFF was used to simulate both…
The random phase approximation (RPA) for the correlation energy functional of density functional theory has recently attracted renewed interest. Formulated in terms of the Kohn-Sham (KS) orbitals and eigenvalues, it promises to resolve some…
Coupled-cluster theory with single and double excitations (CCSD) is a promising ab initio method for the electronic structure of three-dimensional metals, for which second-order perturbation theory (MP2) diverges in the thermodynamic limit.…
The Message-Passing Approach (MPA) is the state-of-the-art technique to obtain quasi-analytical predictions for percolation on real complex networks. Besides being intuitive and straightforward, it has the advantage of being mathematically…
We present an implementation and analysis of a stochastic high performance algorithm to calculate the correlation energy of three dimensional periodic systems in second-order M{\o}ller-Plesset perturbation theory (MP2). In particular we…
We experimentally and theoretically challenge the concept of coherent perfect absorption (CPA) as a narrow frequency resonant mechanism associated with scattering processes that respect scale-invariance. Using a microwave platform,…
Adsorption of carbon monoxide (CO) on transition-metal surfaces is a prototypical process in surface sciences and catalysis. Despite its simplicity, it has posed great challenges to theoretical modeling. Pretty much all existing density…
Coherent perfect absorption (CPA) is an interferometric effect that guarantees full absorption in a lossy layer independently of its intrinsic losses. To date, it has been observed only at a single wavelength or narrow bandwidths, whereupon…