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Quantum simulations of metal surfaces are critical for catalytic innovation. Yet existing methods face a cost-accuracy dilemma: density functional theory is efficient but system-dependent in accuracy, while wavefunction-based theories are…
This paper introduces a novel method for characterizing fracture mechanisms in composite materials using 3D image data gained by computed tomography (CT) measurements. In mineral liberation, the understanding of these mechanisms is crucial,…
We present a review of the basic ideas and techniques of the spectral density functional theory which are currently used in electronic structure calculations of strongly-correlated materials where the one-electron description breaks down.…
We present a semianalytical method for designing meta-atoms in multilayered metasurfaces (MSs), relying on a rigorous model developed for multielement metagratings. Notably, this model properly accounts for near-field coupling effects,…
Superconducting microcircuits and metamaterials are promising candidates for use in new generation cryogenic electronics. Their functionality is largely justified by the macroscopic distribution of electromagnetic fields in arranged unit…
Irradiation of a molecular system by an intense laser field can trigger dynamics of both electronic and nuclear subsystems. The lighter electrons usually move on much faster, attosecond time scale but the slow nuclear rearrangement damps…
Metamaterials bring sub-wavelength resonating structures together to overcome the limitations of conventional materials. The realization of active metadevices has been an outstanding challenge that requires electrically reconfigurable…
In this paper, we present a Bound states in the continuum (BIC) metamaterial in heterogeneous structures based on the universal coupled mode theory. We find the more general physical parameters to represent BIC, which are the resonant…
Nonlinear light-matter interactions and their applications are constrained by properties of available materials. The use of metamaterials opens the way to achieve precise control over electromagnetic properties at a microscopic level,…
Periodic structures are a type of metamaterials in which their physical properties not only depend on the unit cell materials but also the way unit cells are arranged and interact with each other. Periodic structure have Interesting wave…
Cutting edge deep learning techniques allow for image segmentation with great speed and accuracy. However, application to problems in materials science is often difficult since these complex models may have difficultly learning physical…
We present detailed analytical modelling and in-depth investigation of wide-angle reflect-mode metagrating beam splitters. These recently introduced ultrathin devices are capable of implementing intricate diffraction engineering…
Superconducting metamaterials are a promising resource for quantum information science. In the context of circuit QED, they provide a means to engineer on-chip, novel dispersion relations and a band structure that could ultimately be…
The study of electronic transitions within a molecule connected to the absorption or emission of light is a common task in the process of the design of new materials. The transitions are complex quantum mechanical processes and a detailed…
Surface-consistent deconvolution is a standard processing technique in land data to uniformize the wavelet across all sources and receivers. The required wavelet estimation step is generally done in the homomorphic domain since this is a…
Flexible mechanical metamaterials are compliant structures engineered to achieve unique properties via the large deformation of their components. While their static character has been studied extensively, the study of their dynamic…
The separation of liquid mixture has been studied for a long time. Separation proceeds based on the difference in physical properties including pore size and electrostatic interaction. Therefore, there are many difficulties in separation of…
This work presents a microscale approach for simulating the dielectrophoresis (DEP) assembly of polarizable particles under an external electric field. The model is shown to capture interesting dynamical and topological features, such as…
We present methods for analyzing and designing cylindrical electromagnetic metasurfaces with non-circular cross sections based on conformal transformations. It can be difficult to treat surfaces with non-canonical geometries since they…
Epsilon near zero (ENZ) conditions have been observed to enhance superconducting properties of a composite metamaterial based on random mixing of superconductor and ferroelectic nanoparticles. Here we analyse several other promising…