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State-of-the-art computational methods combined with common idealized structural models provide an incomplete understanding of experiments on real nanostructures, since manufacturing introduces unavoidable deviations from the design. We…
We report an interpretation method for deep learning models that allows us to handle high-dimensional spectral data in materials science. The proposed method uses feature extraction and clustering analysis to categorize materials into…
Application of artificial intelligence (AI) has been ubiquitous in the growth of research in the areas of basic sciences. Frequent use of machine learning (ML) and deep learning (DL) based methodologies by researchers has resulted in…
Recently, quantum corrections to optical conductivity of disordered metals up to the UV region were observed. Although this increase of conductivity with frequency, also called anti-Drude behaviour, should disappear at the electron…
Coulomb integrals, i.e., matrix elements of bare or screened Coulomb interaction between one-electron orbitals, are fundamental objects in many approaches developed to tackle the challenging problem of calculating the electronic structure…
Periodic Anderson model (PAM), where local electron orbitals interplay with itinerant electronic carriers, plays an essential role in our understanding on heavy fermion materials. Motivated by recent proposal of simulating Kondo lattice…
Predicting crystal structures from chemical compositions is a fundamental challenge in materials discovery, complicated by complex 3D geometries that distinguish it from fields like protein folding. Here, we present Diffusion-based Crystal…
Lattice models parameterized using first-principles calculations constitute an effective framework to simulate the thermodynamic behavior of physical systems. The cluster expansion method is a flexible lattice-based method used extensively…
Electroosmotic flow (EOF) is a ubiquitous phenomenon at the solid-liquid interface when an external electric field is applied. Despite its prevalence, the characteristics and mechanisms of EOF driven by an alternating current (AC) electric…
A survey is given on the present status of analytic calculation methods and the mathematical structures of zero- and single scale Feynman amplitudes which emerge in higher order perturbative calculations in the Standard Model of elementary…
I discuss the behaviour of Group 1 and 2 elements under pressure, describing crystallography based on diamond anvil pressure cell experiments and electronic structure calculations. In addition to these precise methods, we discuss more…
We propose an annealing scheme usable on modern Ising machines for crystal structures prediction (CSP) by taking into account the general n-body atomic interactions, and in particular three-body interactions which are necessary to simulate…
This work focuses on channel estimation in extremely large aperture array (ELAA) systems, where near-field propagation and spatial non-stationarity introduce complexities that hinder the effectiveness of traditional estimation techniques. A…
We introduce an efficient method to construct optimal and system adaptive basis sets for use in electronic structure and quantum Monte Carlo calculations. The method is based on an embedding scheme in which a reference atom is singled out…
Electronic Structure Theory (EST) describes the behavior of electrons in matter and is used to predict material properties. Conventionally, this involves forming a Hamiltonian and solving the Schr\"odinger equation through discrete…
Fabry-P\'erot etalons illuminated with collimated beams have been characterized analytically in detail since their invention. Meanwhile, most of the features of etalons located in telecentric planes have been studied only numerically,…
The concept of anisotropy of spin relaxation in non-magnetic metals with respect to the spin direction of the injected electrons relative to the crystal orientation is introduced. The effect is related to an anisotropy of the Elliott-Yafet…
We present a new on-shell method for the matching of ultraviolet models featuring massive states onto their massless effective field theory. We employ a dispersion relation in the space of complex momentum dilations to capture, in a single…
A high fidelity amplification of beams carrying orbital angular momentum (OAM) is very crucial for OAM multiplexing and other OAM-based applications. Here, we report the first study of stimulated Brillouin amplification (SBA) for OAM beams,…
Accurately determining the crystallographic structure of a material, organic or inorganic, is a critical primary step in material development and analysis. The most common practices involve analysis of diffraction patterns produced in…