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Autonomous materials discovery with desired properties is one of the ultimate goals for materials science, and the current studies have been focusing mostly on high-throughput screening based on density functional theory calculations and…
Systems with an effectively non-Hermitian Hamiltonian display an enhanced sensitivity to parametric and dynamic perturbations, which arises from the nonorthogonality of their eigenstates. This enhanced sensitivity can be quantified by the…
Computational prediction of stable crystal structures has a profound impact on the large-scale discovery of novel functional materials. However, predicting the crystal structure solely from a material's composition or formula is a promising…
Cooperative spectrum sensing based on the limiting eigenvalue ratio of the covariance matrix offers superior detection performance and overcomes the noise uncertainty problem. While an exact expression exists, it is complex and multiple…
The Bethe equation is a nonlinear differential equation that plays an important role in nuclear physics and a variety of applications related to it, such as the description of the behavior of an energetic particle when it penetrates into…
In this paper we formulate a general method for building completely integrable quantum systems. The method is based on the use of the so-called multi-parameter spectral equations, i.e. equations with several spectral parameters. We show…
Nonlinear optics is essential for many recent photonic technologies. Here, we introduce a novel multi-scale approach to simulate the nonlinear optical response of molecular nanomaterials combining ab initio quantum-chemical and classical…
The Salpeter equation, a standard tool in hadron physics, constitutes a well-defined three-dimensional approximation to the Bethe-Salpeter formalism for the description of bound states within quantum field theories. However, if confinement…
Spectral methods have emerged as a simple yet surprisingly effective approach for extracting information from massive, noisy and incomplete data. In a nutshell, spectral methods refer to a collection of algorithms built upon the eigenvalues…
The identification of materials with exceptional properties is an essential objective to enable technological progress. We propose the application of \textit{Quality-Diversity} algorithms to the field of crystal structure prediction. The…
We present a new method for solving the two-body Bethe-Salpeter equation in Minkowski space. It is based on the Nakanishi integral representation of the Bethe-Salpeter amplitude and on subsequent projection of the equation on the…
Current parameter estimation techniques rely on photodetectors which have low brightness and thus are based on gathering averaged statistics. Recently it was claimed that perfect photodetction will change the nature of sensing algorithms…
Machine learning has been widely applied to clearly defined problems of astronomy and astrophysics. However, deep learning and its conceptual differences to classical machine learning have been largely overlooked in these fields. The broad…
Determining the stability of chemical compounds is essential for advancing material discovery. In this study, we introduce a novel deep neural network model designed to predict a crystal's formation energy, which identifies its stability…
The asymmetric exclusion process on a ring in one-dimension is considered with a single defect particle. The steady state has previously been solved by a matrix product method. Here we use the Bethe ansatz to solve exactly for the long time…
The fundamental quantity governing the mechanical and thermodynamic properties of a crystalline solid is its electronic charge density. Yet, its direct use for the rapid prediction of materials properties remains challenging due to its high…
Materials with bespoke properties have long been identified by computational searches, and their experimental realisation is now coming within reach through autonomous laboratories. Scattering experiments are central to verifying the atomic…
Convergence with respect to the size of the k-points sampling-grid of the Brillouin zone is the main bottleneck in the calculation of optical spectra of periodic crystals via the Bethe-Salpeter equation (BSE). We tackle this challenge by…
Semiconductor nanoplatelets possess exceptional optical properties that make them promising candidates for next-generation optoelectronic applications. However, unlike quantum dots where absorption spectroscopy alone can determine both size…
Eigenvalue problems are fundamental to mathematics and science. We present a simple algorithm for determining eigenvalues and eigenfunctions of the Laplace--Beltrami operator on rather general curved surfaces. Our algorithm, which is based…