Related papers: Using Non-covalent Interactions to Test Precision …
Accurate estimation of the contribution from dispersion interactions to the total energy is important for many molecular systems and low-dimensional solids. In this work we demonstrate how the recently developed linear-scaling many-body…
An ab-initio analysis based on coupled mode theory (CMT) is applied to describe the interaction dynamics of high dielectric resonators (DRs) with its containing aqueous solution. We prove that the coupling mechanism is reciprocal. Such…
We present quasiparticle (QP) energies from fully self-consistent $GW$ (sc$GW$) calculations for a set of prototypical semiconductors and insulators within the framework of the projector-augmented wave methodology. To obtain converged…
Similar to other electron correlation methods, many-body perturbation theory methods based on Green functions, such as the so-called $GW$ approximation, suffer from the usual slow convergence of energetic properties with respect to the size…
In this paper, we scrutinize the ability of seniority-zero wavefunction-based methods to model different types of non-covalent interactions, such as hydrogen bonds, dispersion, and mixed non-covalent interactions as well as prototypical…
Photoacoustic (PA) imaging systems are spreading in the biomedical community, and the de-velopment of new PA contrast agents is an active area of research. However, PA contrast agents are usually characterized with spectrophotometry or…
The COMPASS experiment at CERN has collected a large dataset of $50$ million $\pi^-\pi^+\pi^-$ events produced diffractively from a proton target using a $190\,\mathrm{GeV}/c$ pion beam. The partial-wave analysis (PWA) of these…
The full-potential linearized augmented-plane wave (FP-LAPW) method is well known to enable most accurate calculations of the electronic structure and magnetic properties of crystals and surfaces. The implementation of atomic forces has…
Currently planned and constructed terrestrial detectors for gravitational waves and dark matter based on differential light-pulse atom interferometry are designed around three primary strategies to enhance their sensitivity: (i)…
An alternative, new laser link acquisition scheme for the triangular constellation of spacecraft (SCs) in deep space in the detection of gravitational waves is considered. In place of a wide field CCD camera in the initial stage of laser…
Autoencoders (AE) provide a useful method for nonlinear dimensionality reduction but are ill-suited for low data regimes. Conversely, Principal Component Analysis (PCA) is data-efficient but is limited to linear dimensionality reduction,…
In this paper, the interaction of a 1064 nm continuum-wave laser with inductively-coupled plasma generated in a fluorescent light bulb has been studied both experimentally and theoretically. The absorption coefficients pertaining to the…
This paper presents a computationally fast algorithm for estimating, both, the system and observation noise covariances of nonlinear dynamics, that can be used in an ensemble Kalman filtering framework. The new method is a modification of…
It is demonstrated that the signatures of the Hubbard Model in the strongly interacting regime can be simulated by modifying the screening in the limit of zero wavevector in Projector-Augmented Wave GW calculations for systems without…
In this study, we leverage a mixture model learning approach to identify defects in laser-based Additive Manufacturing (AM) processes. By incorporating physics based principles, we also ensure that the model is sensitive to meaningful…
We present a countermeasure against the detector blinding attack (DBA) utilizing statistical analysis of error and double-click events accumulated during a quantum key distribution session under randomized modulation of single-photon…
Directional couplers are a fundamental building block in integrated photonics, particularly in quantum applications and optimization-based design where precision is critical. Accurate functionality is crucial to ensure reliable operation…
Accurate description of the excess charge in water cluster anions is challenging for standard semi-local and (global) hybrid density functional approximations (DFAs). Using the recent unitary invariant implementation of the Perdew-Zunger…
Tailoring the interactions between quantum emitters and single photons constitutes one of the cornerstones of quantum optics. Coupling a quantum emitter to the band edge of a photonic crystal waveguide (PCW) provides a unique platform for…
Finding accurate solutions to partial differential equations (PDEs) is a crucial task in all scientific and engineering disciplines. It has recently been shown that machine learning methods can improve the solution accuracy by correcting…