Related papers: Nano-particle Transition Matrix code implementatio…
Strong multiple scattering of the probe in scanning transmission electron microscopy (STEM) means image simulations are usually required for quantitative interpretation and analysis of elemental maps produced by electron energy-loss…
Quantum computers are ideally set up to solve linear systems which are of a form similar to the Schrodinger/Dirac equation of quantum mechanics. In the framework of linear response theory, the propagation and scattering of electromagnetic…
Numerical transfer matrices have been widely used in the study of wave propagation and scattering. These may be viewed as descretizations of a recently introduced fundamental notion of transfer matrix which admits a representation in terms…
A general framework for determining fundamental bounds in nanophotonics is introduced in this paper. The theory is based on convex optimization of dual problems constructed from operators generated by electromagnetic integral equations. The…
In this work, we are concerned with the mathematical modeling of the electromagnetic (EM) scattering by arbitrarily shaped non-magnetic nanoparticles with high refractive indices. When illuminated by visible light, such particles can…
Topology optimization techniques have been applied in integrated optics and nanophotonics for the inverse design of devices with shapes that cannot be conceived by human intuition. At optical frequencies, these techniques have only been…
Multi-level non-local thermodynamic equilibrium (NLTE) radiation transfer calculations have become standard throughout the stellar atmospheres community and are applied to all types of stars as well as dynamical systems such as novae and…
We introduce a new numerical method for solving time-harmonic acoustic scattering problems. The main focus is on plane waves scattered by smoothly varying material inhomogeneities. The proposed method works for any frequency $\omega$, but…
Hybrid computational schemes combining the advantages of a method of moments formulation of a field integral equation and T-matrix method are developed in this paper. The hybrid methods are particularly efficient when describing the…
We present an application of our new theoretical formulation of quantum dynamics, moment propagation theory (MPT) (Boyer et al., J. Chem. Phys. 160, 064113 (2024)), for employing machine-learning techniques to simulate the quantum dynamics…
Overcoming the time scale limitations of atomistics can be achieved by switching from the state-space representation of Molecular Dynamics (MD) to a statistical-mechanics-based representation in phase space, where approximations such as…
Quantum effects of plasmonic phenomena have been explored through ab-initio studies, but only for exceedingly small metallic nanostructures, leaving most experimentally relevant structures too large to handle. We propose instead an…
We introduce an efficient combination of polyhedral analysis and predicate partitioning. Template polyhedral analysis abstracts numerical variables inside a program by one polyhedron per control location, with a priori fixed directions for…
We present the new code NADA-FLD to solve multi-dimensional neutrino-hydrodynamics in full general relativity (GR) in spherical polar coordinates. The energy-dependent neutrino transport assumes the flux-limited diffusion (FLD)…
Nuclear matter at finite temperature and barion density exhibits several phase transitions that could happen at the early stages of the Universe evolution and could be realized in heavy-ion or hadron-hadron collisions. Microscopic…
The demand for inverse design is increasing as the ability to fabricate sub-10 nm features expands the design space by orders of magnitude. Efficient inverse design benefits from differentiable models of light-structure interaction. While…
Techniques for producing cold and ultracold molecules are enabling the study of chemical reactions and scattering at the quantum scattering limit, with only a few partial waves contributing to the incident channel, leading to the…
We extend the T-matrix approach to light scattering by spherical particles to some simple cases in which the scatterers are optically anisotropic. Specifically we consider cases in which the spherical particles include radially and…
Despite the recent progress in quantum computational algorithms for chemistry, there is a dearth of quantum computational simulations focused on material science applications, especially for the energy sector, where next generation sorbing…
Acquiring quantitative information on charge transfer (CT) dynamics at the nanoscale remains an important scientific challenge. In particular, CT processes in single molecules at surfaces needs to be investigated to be properly controlled…