相关论文: SIMPLE code: optical properties with optimal basis…

Calculations of elastic and mechanical characteristics of non-crystalline solids are challenging due to high computation cost of $ab$ $initio$ methods and low accuracy of empirical potentials. We propose a computational technique towards…

We present an approach for generating local numerical basis sets of improving accuracy for first-principles nanoplasmonics simulations within time-dependent density functional theory. The method is demonstrated for copper, silver, and gold…

Computational acceleration of performance-metric-based materials discovery via high-throughput screening and machine learning methods is becoming widespread. Nevertheless, development and optimization of the opto-electronic properties that…

To meet the high-speed, low-latency, and low-complexity demand for optical interconnects, simplified maximum likelihood sequence estimation (MLSE) is proposed in this paper. Simplified MLSE combines computational simplification and reduced…

Pure noble metals are typically considered to be the materials of choice for a near-field superlens that allows subwavelength resolution by recovering both propagating and evanescent waves. However, a superlens based on bulk metal can…

This paper presents a new single-source surface integral equation (SS-SIE) to model composite penetrable objects. In the proposed formulation, the surface electric and magnetic fields on all interior boundaries are first eliminated through…

Inverse problem or parameter estimation of ordinary differential equations (ODEs), the iterative process of minimizing the mismatch between model-predicted and experimental states by tuning the parameter values within an optimization…

We present a detailed comparison between ONETEP, our linear-scaling density functional method, and the conventional pseudopotential plane wave approach in order to demonstrate its high accuracy. Further comparison with all-electron…

The chapter contains a detailed presentation of the surface integral theory for modelling light diffraction by surface-relief diffraction gratings having a one-dimensional periodicity. Several different approaches are presented, leading…

It was proposed that perfect invisibility cloaks can be constructed for hiding objects from electromagnetic illumination (Pendry et al., Science 312, p. 1780). The cylindrical cloaks experimentally demonstrated (Schurig et al., Science 314,…

We theoretically describe the optical computation of the divergence of a two-dimensional vector field, which is composed by the transverse electric field components of an incident light beam. The divergence is computed in reflection at…

A bottleneck for computational lithography and optical metrology are long computational times for near field simulations. For design, optimization, and inverse scatterometry usually the same basic layout has to be simulated multiple times…

Computational searching and screening of new functional materials exploiting earth abundant elements can accelerate developments of their energy applications. Based on a state-of-the-art materials search algorithm and ab initio…

We recently found that the electromagnetic scattering problem can be very fast in an approach expressing the fields in terms of orthonormal basis functions. In this paper we apply computational conformal geometry with the conformal energy…

We present simulations of an efficient high numerical aperture solid immersion metalens concept for fluorescence microscopy. The technique exploits the preferential emission of interfacial dipoles into a high refractive index substrate…

The method of maximum likelihood estimation (MLE) is a widely used statistical approach for estimating the values of one or more unknown parameters of a probabilistic model based on observed data. In this tutorial, I briefly review the…

It is well known that the optical properties of spherical metal particles can be described with the Rayleigh approximation or rigorous Mie theory. But for the single metallic nanorods, a theory well capturing the fundamental resonance and…

Linear dielectric thermodynamics are formally developed to explore the isothermal and adiabatic temperature - pressure dependence of dielectric constants. The refractive index of optical materials is widely measured in the literature: it is…

A numerical procedure and its MAPLE implementation capable of rigorously, albeit in a brute-force manner, proving specific strict one-variable inequalities in specific finite intervals is described. The procedure is useful, for instance, to…

We explored decoding methods for the surface code under depolarizing noise by mapping the problem into the Ising model optimization. We consider two kinds of mapping with and without a soft constraint and also various optimization solvers,…