Related papers: HARES: an efficient method for first-principles el…
We have developed a phonon calculation software based on the supercell finite displacement method: ARES-Phonon. It can perform phonon and related property calculations using either non-diagonal or diagonal supercell approaches. Particularly…
We compare convergence of isogeometric analysis (IGA), a spline modification of finite element method (FEM), with FEM in the context of our real space code for ab-initio electronic structure calculations of non-periodic systems. The…
The electronic structure of the heavy fermion compound CeB6 is probed by resonant inelastic soft X-ray scattering using photon energies across the Ce 3d and 4d absorption edges. The hybridization between the localized 4f orbitals and the…
The properties of electrons in matter are of fundamental importance. They give rise to virtually all molecular and material properties and determine the physics at play in objects ranging from semiconductor devices to the interior of giant…
This chapter presents an innovative framework for the application of machine learning and data analytics for the identification of alloys or composites exhibiting certain desired properties of interest. The main focus is on alloys and…
The inability of conventional electronic architectures to efficiently solve large combinatorial problems motivates the development of novel computational hardware. There has been much effort recently toward developing novel,…
The main characteristics of the COMPASS experimental setup for physics with hadron beams are described. This setup was designed to perform exclusive measurements of processes with several charged and/or neutral particles in the final state.…
High-order harmonic generation (HHG) is a powerful tool for probing electronic structure and ultrafast dynamics in matter. Traditionally studied in atomic and molecular gases, HHG has recently been extended to condensed matter, enabling…
This letter introduces the concept of fluid integrated reflecting and emitting surface (FIRES), which constitutes a new paradigm seamlessly integrating the flexibility of fluid-antenna systems (FASs) with the dual functionality of…
Modern challenges arising in the fields of theoretical and experimental physics require new powerful tools for high-precision electronic structure modelling; one of the most perspective tools is the relativistic Fock space coupled cluster…
The optical and acoustic metagratings have addressed the limitations of low-efficiency wave manipulation and high-complexity fabrication of metamaterials and metasurfaces. In this research, we introduce the concept of elastic metagrating…
Pariser-Parr-Pople (P-P-P) model Hamiltonian has been used extensively over the years to perform calculations of electronic structure and optical properties of $\pi$-conjugated systems successfully. In spite of tremendous successes of…
Finding the distribution of vibro-acoustic energy in complex built-up structures in the mid-to-high frequency regime is a difficult task. In particular, structures with large variation of local wavelengths and/or characteristic scales pose…
The Heusler compounds have provided a playground of material candidates for various technological applications based on their highly diverse and tunable properties, controlled by chemical composition and crystal structure. However, physical…
Many natural phenomena involve processes that happen simultaneously at different characteristic length- and timescales. Typically, the region where the process of interest happens is affected by fluctuations in its surroundings. Modeling…
We present the design and implementation details of a geometric multigrid method on adaptively refined meshes for massively parallel computations. The method uses local smoothing on the refined part of the mesh. Partitioning is achieved by…
We propose SHARC, a novel framework that synthesizes arbitrary, genus-agnostic shapes by means of a collection of Spherical Harmonic (SH) representations of distance fields. These distance fields are anchored at optimally placed reference…
The realization of higher-order exceptional points (HOEPs) can lead to orders of magnitude enhancement in light-matter interactions beyond the current fundamental limits. Unfortunately, implementing HOEPs in the existing schemes is a rather…
Quantum confinement endows two-dimensional (2D) layered materials with exceptional physics and novel properties compared to their bulk counterparts. Although certain two- and few-layer configurations of graphene have been realized and…
We present a method to search for a probe (or query) image representation against a large gallery in the encrypted domain. We require that the probe and gallery images be represented in terms of a fixed-length representation, which is…