Related papers: SIMBA: A Python-based single-point astrochemical s…
We describe Rabacus, a Python package for calculating the transfer of hydrogen ionizing radiation in simplified geometries relevant to astronomy and cosmology. We present example solutions for three specific cases: 1) a semi-infinite slab…
We have developed a software library for chemical evolution simulations of galaxy formation under the simple stellar population (SSP) approximation. In this library, all of the necessary components concerning chemical evolution, such as…
In the modern drug discovery process, medicinal chemists deal with the complexity of analysis of large ensembles of candidate molecules. Computational tools, such as dimensionality reduction (DR) and classification, are commonly used to…
Change point detection has become an important part of the analysis of the single-particle tracking data, as it allows one to identify moments, in which the motion patterns of observed particles undergo significant changes. The segmentation…
The parameterization of simulation-based models is a central yet laborious task in computational chemistry and physics, often driven by human intuition and manual iteration. Automating this task necessitates the definition of suitable…
We describe an SPH model for chemical enrichment and radiative cooling in cosmological simulations of structure formation. This model includes: i) the delayed gas restitution from stars by means of a probabilistic approach designed to…
We find ourselves on the brink of an exciting era in observational astrophysics, driven by groundbreaking facilities like JWST, Euclid, Rubin, Roman, SKA, or ELT. Simultaneously, computational astrophysics has shown significant strides,…
Data Assimilation (DA) plays a critical role in atmospheric science by reconstructing spatially continous estimates of the system state, which serves as initial conditions for scientific analysis. While recent advances in diffusion models…
The Python Sky Model (PySM) is a Python package used by Cosmic Microwave Background (CMB) experiments to simulate maps, in HEALPix pixelization, of the various diffuse astrophysical components of Galactic emission relevant at CMB…
The numerical modeling of co-existing circumplanetary disks/rings and satellites is particularly challenging because each part of the system requires a very different approach. Disks are generally well represented by a fluid-like dense…
The advent of single-cell multi-omics technologies has enabled the simultaneous profiling of diverse omics layers within individual cells. Integrating such multimodal data provides unprecedented insights into cellular identity, regulatory…
Effective hydrodynamic modeling is crucial for accurately predicting fluid-particle interactions in diverse fields such as biophysics and materials science. Developing and implementing hydrodynamic algorithms is challenging due to the…
Seismic images reconstruct subsurface reflectivity from field recordings, guiding exploration and reservoir monitoring. Gas chimneys are vertical anomalies caused by subsurface fluid migration. Understanding these phenomena is crucial for…
The ultimate goal of the observation of nonthermal emission from astrophysical sources is to understand the underlying particle acceleration and evolution processes, and few tools are publicly available to infer the particle distribution…
We describe a unique approach to economizing the solution to the general chemical equilibrium and equation-of-state problem for late-type stars, including diatomic and polyatomic molecules, that is fast, accurate, and suitable for…
Solvent plays an essential role in a variety of chemical, physical, and biological processes that occur in the solution phase. The reference interaction site model (RISM) and its three-dimensional extension (3D-RISM) serve as powerful…
Cells exhibit a wide variety of different shapes. This diversity poses a challenge for computational approaches that attempt to shed light on the role cell geometry plays in regulating cell physiology and behavior. The simulation platform…
An explanatory model for the emergence of evolvable units must display emerging structures that (1) preserve themselves in time (2) self-reproduce and (3) tolerate a certain amount of variation when reproducing. To tackle this challenge,…
Scientific discovery via numerical simulations is important in modern astrophysics. This relatively new branch of astrophysics has become possible due to the development of reliable numerical algorithms and the high performance of modern…
scida is a Python package for reading and analyzing large scientific data sets with support for various cosmological and galaxy formation simulations out-of-the-box. Data access is provided through a hierarchical dictionary-like data…