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Determining the initial stellar multiplicity is a challenging problem since protostars are faint and deeply embedded at early times; once formed, multiple protostellar systems may significantly dynamically evolve before they are optically…
Laboratory experiments play a key role in deciphering the chemistry of the interstellar medium (ISM) and the role that product complex organic molecules (COMs) may play in the origins of life. However, to date, most studies in experimental…
Astrochemistry has been widely developed as a power tool to probe physical properties of the interstellar medium (ISM) in various conditions of the Milky Way (MW) Galaxy, and in near and distant galaxies. Most current studies conventionally…
Molecular dynamics simulations have the potential to provide atomic-level detail and insight to important questions in chemical physics that cannot be observed in typical experiments. However, simply generating a long trajectory is…
Agent-based modeling (ABM) is a principal approach for studying complex systems. By decomposing a system into simpler, interacting agents, agent-based modeling (ABM) allows researchers to observe the emergence of complex phenomena.…
We describe the AMReX-Astrophysics framework for exploring the sensitivity of astrophysical simulations to the details of a nuclear reaction network, including the number of nuclei, choice of reaction rates, and approximations used. This is…
Laboratory astrochemistry aims at simulating in the laboratory some of the chemical and physical processes that operate in different regions of the Universe. Amongst the diverse astrochemical problems that can be addressed in the…
A large number of powerful, high-quality, and open-source simulation packages exist to efficiently perform molecular dynamics simulations, and their prevalence has greatly accelerated discoveries across a wide range of scientific domains.…
We introduce microJAX, the first fully differentiable implementation of the image-centered ray-shooting (ICRS) algorithm for gravitational microlensing. Built on JAX and its XLA just-in-time compiler, microJAX exploits GPU parallelism while…
Computational astrochemical models are essential for helping us interpret and understand the observations of different astrophysical environments. In the age of high-resolution telescopes such as JWST and ALMA, the substructure of many…
The recent availability of wideband receivers and high sensitivity instruments in the mm and submm wavelengths has opened the possibility of studying in detail the chemistry of the interstellar medium in extragalactic objects. Within the…
Several of NASA missions (TESS, JWST, WFIRST, etc.) and mission concepts (LUVOIR, HabEx, and OST) emphasize the exploration and characterization of exoplanets, and the study of the interstellar medium. We anticipate that a much broader set…
The field of astrochemistry has seen major advances triggered by the completion of new powerful radio telescopes, with gains in sensitivity of receivers and in bandwidth. To date, about 330 molecular species are detected, in interstellar…
In external galaxies, some galaxies have higher activities of star formation and central supermassive black holes. The interstellar medium in those galaxies can be heated by different mechanisms such as UV-heating, X-ray heating, cosmic-ray…
Chemical reactions are the fundamental building blocks of drug design and organic chemistry research. In recent years, there has been a growing need for a large-scale deep-learning framework that can efficiently capture the basic rules of…
The search for complex organic molecules in the interstellar medium (ISM) has revealed species of ever greater complexity. This search relies on the progress made in the laboratory to characterize their rotational spectra. Our understanding…
The main achievements, current developments and prospects of molecular studies in external galaxies are reviewed. They are put in the context of the results of several decades of studies of molecules in local interstellar medium, their…
The microstructure of materials evolves through chemical reactions and mechanical stress, often strongly coupled in phenomena such as pressure solution or crystallization pressure. This article presents MASKE: a simulator to address the…
The modeling and analysis generic interface for external numerical codes (MAGIX) is a model optimizer developed under the framework of the coherent set of astrophysical tools for spectroscopy (CATS) project. The MAGIX package provides a…
The chemistry of an astrophysical environment is closely coupled to its dynamics, the latter often found to be complex. Hence, to properly model these environments a 3D context is necessary. However, solving chemical kinetics within a 3D…