CELES: CUDA-accelerated simulation of electromagnetic scattering by large ensembles of spheres

Egel, Amos; Pattelli, Lorenzo; Mazzamuto, Giacomo; Wiersma, Diederik S.; Lemmer, Uli

doi:10.1016/j.jqsrt.2017.05.010

Cited by 88 publications

(71 citation statements)

References 41 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…In this study, we use a freely available, CUDA-accelerated implementation of the T -matrix method named CELES [62] to largely reduce the computational burden. By leveraging massively parallel execution on graphical processing hardware, a blockdiagonal preconditioner and a look-up table approach for the evaluation of costly functions, CELES allows us to efficiently address large electrodynamics problems on inexpensive consumer hardware.…”

Section: B T-matrix Calculationsmentioning

confidence: 99%

Role of packing density and spatial correlations in strongly scattering 3D systems

Pattelli¹,

Egel²,

Lemmer³

et al. 2018

Optica

Self Cite

View full text Add to dashboard Cite

Discrete random media have been investigated extensively over the past century due to their ability to scatter light. Even so, the link between the three-dimensional (3D) spatial distribution of the scattering elements and the resulting opacity is still lively debated to date due to different experimental conditions, range of parameters explored, or sample formulations. On the other hand, a unified numerical survey with controlled parameters has been impractical up to date due to the sheer computational power required to address samples with representative size. In this work, we exploit a graphics processing unit implementation of the T -matrix method to investigate the complete range of particle volume concentration and packing-induced spatial correlations, allowing us to reveal and elucidate a twofold role played by spatial correlations in either enhancing or suppressing opacity. By applying these findings to the illustrative case of white paint, we determine the optimal combination of density and spatial correlations corresponding to the highest opacity.

show abstract

Section: B T-matrix Calculationsmentioning

confidence: 99%

Role of packing density and spatial correlations in strongly scattering 3D systems

Pattelli¹,

Egel²,

Lemmer³

et al. 2018

Optica

Self Cite

View full text Add to dashboard Cite

show abstract

“…Provided that the restriction is met, the T-matrix route to the calculation of the response of an ensemble of molecules is much more efficient than the quantum-mechanical simulation of the ensemble. While stateof-the-art T-matrix codes can handle ensembles of tens of thousands of individual objects, [10] quantum-mechanical simulations of the same size are unfeasible. It is also noteworthy to mention that the dipolar approximation taken on each individual molecule does not preclude the computation of the T-matrix of the ensemble to any desired multipolar order, only limited by the available numerical resources.…”

Section: Chemphyschemmentioning

confidence: 99%

“…For example, state-of-the-art T-matrix codes can handle ensembles of tens of thousands of individual objects. [10] The computation of the T-matrices of individual objects requires a basic model for light-matter interactions. The model is typically the macroscopic Maxwell equations featuring the constitutive relations: Electric permittivity, magnetic permeability, etc.…”

Section: Introductionmentioning

confidence: 99%

Computation of Electromagnetic Properties of Molecular Ensembles

et al. 2020

View full text Add to dashboard Cite

We outline a methodology for efficiently computing the electromagnetic response of molecular ensembles. The methodology is based on the link that we establish between quantumchemical simulations and the transfer matrix (T-matrix) approach, a common tool in physics and engineering. We exemplify and analyze the accuracy of the methodology by using the time-dependent Hartree-Fock theory simulation data of a single chiral molecule to compute the T-matrix of a crosslike arrangement of four copies of the molecule, and then computing the circular dichroism of the cross. The results are in very good agreement with full quantum-mechanical calculations on the cross. Importantly, the choice of computing circular dichroism is arbitrary: Any kind of electromagnetic response of an object can be computed from its T-matrix. We also show, by means of another example, how the methodology can be used to predict experimental measurements on a molecular material of macroscopic dimensions. This is possible because, once the T-matrices of the individual components of an ensemble are known, the electromagnetic response of the ensemble can be efficiently computed. This holds for arbitrary arrangements of a large number of molecules, as well as for periodic or aperiodic molecular arrays. We identify areas of research for further improving the accuracy of the method, as well as new fundamental and technological research avenues based on the use of the T-matrices of molecules and molecular ensembles for quantifying their degrees of symmetry breaking. We provide T-matrix-based formulas for computing traditional chiro-optical properties like (oriented) circular dichroism, and also for quantifying electromagnetic duality and electromagnetic chirality. The formulas are valid for light-matter interactions of arbitrarily-high multipolar orders.

show abstract

“…3 B shows that there is a clear focal spot at 10µm. All electric field in this work were calculated by using our extension of the CELES code [27]. The efficiency of the lens was calculated by fitting a Gaussian shape to the field profile at the focal spot z = 10µm, for x = 0 as shown in Fig.…”

Section: High Numerical Aperture Lensmentioning

confidence: 99%

“…al. [27]. CELES is available free of charge, and our implementation of the optimization algorithm is available upon request.…”

Section: Appendix A: T-matrix Derivativesmentioning

confidence: 99%

Design and optimization of ellipsoid scatterer-based metasurfaces via the inverse T-matrix method

2020

View full text Add to dashboard Cite

Large-area metasurfaces composed of discrete wavelength-scale scatterers present an extremely large number of degrees of freedom to engineer an optical element. These degrees of freedom provide tremendous design flexibility, and a central challenge in metasurface design is how to optimally leverage these degrees of freedom towards a desired optical function. Inverse design can be used to explore non-intuitive design space for metasurfaces. We report an inverse design method exploiting T-Matrix scattering of ellipsoidal scatterer based metasurfaces. Multi-functional, polarization multiplexed metasurfaces were designed using this approach. Finally, we apply this method to optimize the efficiency of an existing high numerical aperture (0.83) metalens design, and report an increase in efficiency from 26% to 32%.

show abstract

CELES: CUDA-accelerated simulation of electromagnetic scattering by large ensembles of spheres

Cited by 88 publications

References 41 publications

Role of packing density and spatial correlations in strongly scattering 3D systems

Role of packing density and spatial correlations in strongly scattering 3D systems

Computation of Electromagnetic Properties of Molecular Ensembles

Design and optimization of ellipsoid scatterer-based metasurfaces via the inverse T-matrix method

Contact Info

Product

Resources

About