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The coherent process of particle deflection by aligned atomic strings and planes of oriented crystals is accompanied by incoherent scattering by atomic cores. While the coherent particle deflection, described by the axial or planar averaged…
In this work we introduce an Autoencoder for molecular conformations. Our proposed model converts the discrete spatial arrangements of atoms in a given molecular graph (conformation) into and from a continuous fixed-sized latent…
We demonstrate a novel single molecule technique that is compatible with high precision measurements and obtain the spectrum of two molecular ion species. While the current result yields modest spectral resolution due to a broad light…
The purpose of these lectures is to illustrate how symmetry and pattern recognition play essential roles in the progression from experimental observation to an understanding of nuclear phenomena in terms of interacting neutrons and protons.…
The determination of chemical mixture components is vital to a multitude of scientific fields. Oftentimes spectroscopic methods are employed to decipher the composition of these mixtures. However, the sheer density of spectral features…
The notion of a spectral geometry on a compact metric space X is introduced. This notion serves as a discrete approximation of X motivated by the notion of a spectral triple from non-commutative geometry. A set of axioms charaterising…
The analysis of cylindrical resonators is part of standard physics curricula but, unlike for their rectangular counterpart, their mode structure is hardly ever visualized. The aim of this work is to show a way of doing it, providing a set…
One of the challenges in single particle reconstruction in cryo-electron microscopy is to find a three-dimensional model of a molecule using its two-dimensional noisy projection-images. In this paper, we propose a robust "angular…
Precision spectroscopy of atoms and molecules allows one to search for and to put stringent limits on the variation of fundamental constants. These experiments are typically interpreted in terms of variations of the fine structure constant…
Although the observation of optical spectra is common practice in physics classes, students are usually limited to a passive, qualitative observation of nice colours. This article discusses a diffraction-based spectrometer that allows…
We present a machine learning algorithm for the prediction of molecule properties inspired by ideas from density functional theory. Using Gaussian-type orbital functions, we create surrogate electronic densities of the molecule from which…
We demonstrate to image asymmetric molecular orbitals via high-order harmonic generation in a one-color inhomogeneous field. Due to the broken inversion symmetry of the inhomogeneous field in space, the returning electrons with energy in a…
We present a computational scheme for predicting the ligands that bind to a pocket of known structure. It is based on the generation of a general abstract representation of the molecules, which is invariant to rotations, translations and…
In this paper we discuss two approximate methods previously suggested for modeling hyperfine spectral line emission for molecules whose collisional transitions rates between hyperfine levels are unknown. Hyperfine structure is seen in the…
In conventional optical Stark-shift spectroscopy, molecules are exposed to spatially homogeneous static electric fields that shift the energies of their spectral lines. These shifts are attributed to the molecular electronic properties,…
A consistent theory, which describes the incoherent scattering of classically moving relativistic particles by the nuclei of crystal planes without any phenomenological parameter is presented. The basic notions of quantum mechanics are…
A new spectrum generating algebra for a unified description of rotations and vibrations in polyatomic molecules is introduced. An application to nonlinear X$_3$ molecules shows that this model (i) incorporates exactly the relevant point…
The possibility of coherent radiation by molecular magnets is investigated. It is shown that to realize the coherent radiation, it is necessary to couple the considered sample to a resonant electric circuit. A theory for describing this…
Matrix inversion problems are often encountered in experimental physics, and in particular in high-energy particle physics, under the name of unfolding. The true spectrum of a physical quantity is deformed by the presence of a detector,…
We show that combining vibrational spectroscopy with signal processing can result in a scheme for ultrasensitive detection of molecules. We consider the vibrational spectrum as a signal on the energy axis and apply a matched filter on that…