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We present a numerical tool Shiva designed to simulate the dust destruction in warm neutral, warm ionized, and hot ionized media under the influence of photo-processing, sputtering, and shattering. The tool is designed primarily to study…
Protein dynamics play a crucial role in protein biological functions and properties, and their traditional study typically relies on time-consuming molecular dynamics (MD) simulations conducted in silico. Recent advances in generative…
X-ray astronomy is an important tool in the astrophysicist's toolkit to investigate high-energy astrophysical phenomena. Theoretical numerical simulations of astrophysical sources are fully three-dimensional representations of physical…
The spatial and temporal relationships between stellar age, kinematics, and chemistry are a fundamental tool for uncovering the physics driving galaxy formation and evolution. Observationally, these trends are derived using carefully…
We present the python package DiPolMol-Py, which can be used to calculate the rotational and hyperfine structure of $^2\Sigma$ molecules. The calculations can be performed in the presence of dc magnetic fields, dc electric fields and far…
We consider basket trials in which a biomarker-targeting drug may be efficacious for patients across different disease indications. Patients are enrolled if their cells exhibit some levels of biomarker expression. The threshold level is…
The dynamic mode decomposition (DMD) is a simple and powerful data-driven modeling technique that is capable of revealing coherent spatiotemporal patterns from data. The method's linear algebra-based formulation additionally allows for a…
PyLlama is a handy Python toolkit to compute the electromagnetic reflection and transmission properties of arbitrary multilayered linear media, including the case of anisotropy. Relying on a $4 \times 4$-matrix formalism, PyLlama implements…
Logical models offer a simple but powerful means to understand the complex dynamics of biochemical regulation, without the need to estimate kinetic parameters. However, even simple automata components can lead to collective dynamics that…
Physicochemical models can be powerful tools to trace the chemical evolution of a protostellar system and allow to constrain its physical conditions at formation. The aim of this work is to assess whether source-tailored modelling is needed…
We use a simple one-zone galactic chemical evolution model to quantify the uncertainties generated by the input parameters in numerical predictions, for a galaxy with properties similar to those of the Milky Way. We compiled several studies…
Major advancements in fields as diverse as biology and quantum computing have relied on a multitude of microscopic techniques. All optical, electron and scanning probe microscopy advanced with new detector technologies and integration of…
The oxidation of human sebum, a lipid mixture covering our skin, generates a range of volatile and semi-volatile carbonyl compounds that contribute largely to indoor air pollution in crowded environments. Kinetic models have been developed…
Scanning tunneling and atomic force microscopies (STM/nc-AFM) are rapidly progressing to offer unprecedented spatial resolution of a diverse array of chemical species. In particular, they are employed to characterize on-surface chemical…
We present a Python package together with a practical guide for the implementation of a lightweight diversity-enhanced genetic algorithm (GA) approach for the exploration of multi-dimensional parameter spaces. Searching a parameter space…
We present ELSA, a new modular software package, written in C, to analyze and manage spectroscopic data from emission-line objects. In addition to calculating plasma diagnostics and abundances from nebular emission lines, the software…
The phase-field method has become a useful tool for the simulation of classical metallurgical phase transformations as well as other phenomena related to materials science. The thermodynamic consistency that forms the basis of these…
We have extended our chemical and cosmological galaxy evolution model to calculate the abundance evolution for altogether 16 different elements in spiral galaxies in a chemically consistent way which is a considerable step towards a more…
Point cloud completion is a fundamental task in 3D vision. A persistent challenge in this field is simultaneously preserving fine-grained details present in the input while ensuring the global structural integrity of the completed shape.…
The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…