Related papers: A Large-scale Approach to Modelling Molecular Bios…
In this paper we demonstrate how asymmetric molecular rotational spectra may be introduced to students both "pictorially" and with simple formulae. It is shown that the interpretation of such spectra relies heavily upon pattern recognition.…
Rovibrational transitions in the hydrogen and antihydrogen molecular ions $H_2^+$ and $\overline{H}_2^-$ offer the possibility of testing Lorentz and CPT symmetry to extremely high precision, in principle attaining $O(10^{-17})$. In this…
In the first section we present the atomic part where a C2+ atomic target was prepared and used to generate theoretical data to investigate recombination lines arising from electron-ion collisions in thin plasma. R-matrix method was used to…
Massive stars play an important role in the mechanical and chemical evolution of galaxies. Understanding the internal processes of these stars is vital to our understanding of their evolution and eventual end products. Deformations from…
We introduce and publicly release a new code, ADAPTSMOOTH, which serves to smooth astronomical images in an adaptive fashion, in order to enhance the signal-to-noise ratio (S/N). The adaptive smoothing scheme allows to take full advantage…
As atoms formed for the first time during primordial recombination, they emitted bound-bound and free-bound radiation leading to spectral distortions to the cosmic microwave background. These distortions might become observable in the…
Small-molecule identification from tandem mass spectrometry (MS/MS) remains a bottleneck in untargeted settings where spectral libraries are incomplete. While deep learning offers a solution, current approaches typically fall into two…
Self-supervised learning (SSL) has driven major advances in computational pathology by enabling the learning of rich representations from histopathology data. Yet, tissue analysis alone may fall short in capturing broader molecular…
Spectroscopic techniques are essential tools for determining the structure of molecules. Different spectroscopic techniques, such as Nuclear magnetic resonance (NMR), Infrared spectroscopy, and Mass Spectrometry, provide insight into the…
We show how vibronic spectra in molecular systems can be simulated in an efficient and accurate way using first principles approaches without relying on the explicit use of multiple Born-Oppenheimer potential energy surfaces. We demonstrate…
The short and intense pulses of the new X-ray free electron lasers, now operational or under construction, may make possible diffraction experiments on single molecule-sized objects with high resolution, before radiation damage destroys the…
The B-spline basis set method is applied to determining the rovibrational eigen-spectrum of diatomic molecules. A particular attention is paid to a challenging numerical task of an accurate and efficient description of the vibrational…
We use time-resolved direct frequency comb spectroscopy in the mid-infrared to obtain high-resolution rovibrational spectra of products produced from the OD+CO reaction. In this work, we present spectral analyses for isotopologues of the…
Probing vibronic coherence in molecules has been a central topic in ultrafast science, as it is an essential prerequisite to monitoring electronic motion. While experiments have demonstrated that attosecond transient absorption spectroscopy…
High harmonic generation in the interaction of femtosecond lasers with atoms and molecules opens the path to molecular orbital tomography and to probe the electronic dynamics with attosecond-{\AA}ngstr\"{o}m resolutions. Molecular orbital…
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…
Spatial transcriptomics (ST) enables gene expression mapping within anatomical context but remains costly and low-throughput. Hematoxylin and eosin (H\&E) staining offers rich morphology yet lacks molecular resolution. We present…
Unambiguously identifying molecules in spectra is of fundamental importance for a variety of scientific and industrial uses. Interpreting atmospheric spectra for the remote detection of volatile compounds requires information about the…
We study the direct and inverse spectral theory for a class of finite Hermitian banded matrices. Using the theory of matrix orthogonal polynomials, we provide an explicit procedure for reconstructing a banded matrix from a matrix-valued…
Molecular ions can be held in a chain of laser-cooled atomic ions by sympathetic cooling. This system is ideal for performing high-precision molecular spectroscopy with applications in astrochemistry and fundamental physics. Here we show…