相关论文: ExoMolHR: A Relational Database of Empirical High-…
The field of structural bioinformatics has seen significant advances with the use of Molecular Dynamics (MD) simulations of biological systems. The MD methodology has allowed to explain and discover molecular mechanisms in a wide range of…
All magnetized planets are known to produce intense non thermal radio emissions through a mechanism known as Cyclotron Maser Instability (CMI), requiring the presence of accelerated electrons generally arising from magnetospheric current…
The EXFOR library is a useful resource for many people in the field of nuclear physics. In particular, the experimental data in the EXFOR library serves as a starting point for nuclear data evaluations. There is an ongoing discussion about…
Pollux is a high-resolution spectrograph and spectropolarimeter working from 100 nm to 1.8 microns proposed for HWO by a European consortium. Pollux will allow us to study stellar and (exo)planetary systems, as well as cosmic ecosystems.…
We present iSLAT (the Interactive Spectral-Line Analysis Tool), a python-based graphical tool that allows users to interactively explore and manually fit line emission observed in molecular spectra. iSLAT adopts a simple slab model that…
The Environmental Extended Multi-Regional Input-Output analysis is the predominant framework in Ecological Economics for assessing the environmental impact of economic activities. This paper introduces ExioML, the first Machine Learning…
Spectropolarimetry, the observation of polarization and intensity as a function of wavelength, is a powerful tool in stellar astrophysics. It is particularly useful for characterizing stars and circumstellar material, and for tracing the…
Comparison of echelle spectra to synthetic models has become a computational statistics challenge, with over ten thousand individual spectral lines affecting a typical cool star echelle spectrum. Telluric artifacts, imperfect line lists,…
Mock halo catalogues are indispensable data products for developing and validating cosmological inference pipelines. A major challenge in generating mock catalogues is modelling the halo or galaxy bias, which is the mapping from matter…
We present the implementation of an electronic-structure approach dedicated to ionization dynamics of molecules interacting with x-ray free-electron laser (XFEL) pulses. In our scheme, molecular orbitals for molecular core-hole states are…
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…
Carbon monoxide is thought to be the second most abundant molecule in the Universe. This makes observation of both its parent isotopologue ($^{12}$C$^{16}$O) and its stable isotopologues, $^{13}$C$^{16}$O, $^{12}$C$^{18}$O,…
This study is based on the use of the new ExoMol TiO rovibronic line lists to identify and model TiO isotopologue features in spectra of M-dwarfs. We aim to investigate problems involving the computation of electronic bands for different…
In anticipation of future flagship missions focused on the goal of achieving direct imaging of rocky exoplanets, we have developed a database of models to help the community examine the potential spectral characteristics of a broad range of…
Photon initiated chemistry, \textit{i.e.} the interaction of light with chemical species, is a key factor in the evolution of the atmosphere of exoplanets. For planets orbiting stars in UV-rich environments, photodissociation induced by…
In this review, we discuss various open-source software for modelling the broad-band emission of extragalactic sources from radio up to the highest gamma ray energies. As we provide an overview of the different tools available, we discuss…
Methanol (CH$_{3}$OH) is a key complex organic molecule (COM) in the interstellar medium, widely used as a tracer of dense gas and hot molecular cores (HMCs). Using high-resolution ALMA observations from the ATOMS survey, we investigate the…
"exoplanet" is a toolkit for probabilistic modeling of astronomical time series data, with a focus on observations of exoplanets, using PyMC3 (Salvatier et al., 2016). PyMC3 is a flexible and high-performance model-building language and…
Electronic health record (EHR) data is an essential data source for machine learning for health, but researchers and clinicians face steep barriers in extracting and validating EHR data for modeling. Existing tools incur trade-offs between…
We present an open source software package SpectroLab a Matlab-based tool developed in 2018 for the analysis of spectroscopic data. In this package, there are tools for derivative analysis, stacked energy contours, stacked plots for theory,…