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Optical spectroscopy is an important and widely used technique, for instance, to characterize new materials and to identify unknown compounds. Spectra are typically reported as a function of the wavelength of light, yet the information…
Many large scale numerical simulations of astrophysical plasmas must also reproduce the hydrogen ionization and the resulting emission spectrum, in some cases quite accurately. We describe a compact model hydrogen atom that can be readily…
The Simple Line Access Protocol (SLAP) is an IVOA Data Access protocol which defines a protocol for retrieving spectral lines coming from various Spectral Line Data Collections through a uniform interface within the VO framework. These…
We present a software package, IDA, which can easily handle two-dimensional spectroscopy data. IDA has been written in IDL and offers a window-based interface. The available tools can visualize a recovered image from spectra at any desired…
We present an open-source code for the simulation of electron and ion transport for user-defined gas mixtures with static uniform electric and magnetic fields. The program provides microscopic interaction simulation and is interfaced with…
ExoCross is a Fortran code for generating spectra (emission, absorption) and thermodynamic properties (partition function, specific heat etc.) from molecular line lists. Input is taken in several formats, including ExoMol and HITRAN…
Interferometric scattering microscopy is a powerful technique that enables various applications, such as mass photometry and particle tracking. Here we present a numerical toolbox to simulate images obtained in interferometric scattering,…
Functional groups and moieties are chemical descriptors of biomolecules that can be used to interpret their properties and functions, leading to the understanding of chemical or biological mechanisms. These chemical building blocks, or…
A new experimental technique for investigating characteristics of plasma generated with plasmotrons in electrophysical installations was proposed. The technique involves a simultaneous registration of both radiation spectra and images of…
Absorption imaging and spectroscopy can probe the dynamics of an ultracold neutral plasma during the first few microseconds after its creation. Quantitative analysis of the data, however, is complicated by the inhomogeneous density…
Spectral clustering refers to a family of unsupervised learning algorithms that compute a spectral embedding of the original data based on the eigenvectors of a similarity graph. This non-linear transformation of the data is both the key of…
The Chinese Space Station Survey Telescope (CSST) is a next-generation Stage-IV facility renowned for its wide field of view, high image quality, and multi-band observational capabilities. Among the five instruments onboard the CSST, the…
The large quantity and high quality of modern radio and infrared line observations require efficient modeling techniques to infer physical and chemical parameters such as temperature, density, and molecular abundances. We present a computer…
Vibrational spectroscopy is a powerful technique to characterize the near-equilibrium dynamics of molecules in the gas- and the condensed-phase. This contribution summarizes efforts from computer-based methods to gain insight into the…
QuantumATK is an integrated set of atomic-scale modelling tools developed since 2003 by professional software engineers in collaboration with academic researchers. While different aspects and individual modules of the platform have been…
pyspeckit is a toolkit and library for spectroscopic analysis in Python. We describe the pyspeckit package and highlight some of its capabilities, such as interactively fitting a model to data, akin to the historically widely-used splot…
Techniques like speckle holography and shearography are rarely applied due to the complexity of instrument setup and lack of automated result analysis, despite their potential. By simulating speckle interferometric outcomes, we seek to…
We present SCULPT (Supervised Clustering and Uncovering Latent Patterns with Training), a comprehensive software platform for analyzing tabulated high-dimensional multi-particle coincidence data from Cold Target Recoil Ion Momentum…
As the multiplexing power of spectroscopic instruments increases, so does the need for automated analysis. In practice, the bottleneck for speed is the calculation of model spectra to evaluate the likelihood of candidate parameters. This…
We present MARFA (Molecular atmospheric Absorption with Rapid and Flexible Analysis) -- an open-source line-by-line tool for calculating absorption coefficients and cross-sections in planetary atmospheres, particularly under conditions of…