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Understanding molecular structure, dynamics, and reactivity requires bridging processes that occur across widely separated time scales. Conventional molecular dynamics simulations provide atomistic resolution, but their femtosecond time…
We have compared the intensity distribution of molecular line emission with that of dust continuum emission, and modeled molecular line profiles in three different preprotostellar cores in order to test how dynamical evolution is related to…
The development of molecular complexity during stellar and planetary formation owes much to the interaction of gas and dust. When the first astrochemical models including solid-state chemistry were developed more than forty years ago, data…
Transient microstructure in the diffuse interstellar medium has been observed towards galactic and extragalactic sources for decades, usually in lines of atoms and ions, and, more recently, in molecular lines. Evidently, there is a…
Recent models and simulations of cluster formation within molecular clumps consider multi-scale, hierarchical accretion, which leads to clump mass growth over time. This mode of mass accumulation could have implications regarding the…
Pre-main sequence (PMS) models provide invaluable tools for the study of star forming regions as they allow to assign masses and ages to young stars. Thus it is of primary importance to test the models against observations of PMS stars with…
I present a review of chemical evolution models of the solar neighborhood. I give special attention to the necessary ingredients to reproduce the observed [Xi/Fe] ratios in nearby metal and super metal rich stars, and to the chemical…
Deep generative models are able to suggest new organic molecules by generating strings, trees, and graphs representing their structure. While such models allow one to generate molecules with desirable properties, they give no guarantees…
We present a comparison between independent computer codes, modeling the physics and chemistry of interstellar photon dominated regions (PDRs). Our goal was to understand the mutual differences in the PDR codes and their effects on the…
A parameterization strategy for molecular models on the basis of force fields is proposed, which allows a rapid development of models for small molecules by using results from quantum mechanical (QM) ab initio calculations and thermodynamic…
Models of prestellar cores often assume that the cores are isolated from their environment - material outside the core boundary plays no role in the subsequent evolution. This is unlikely to be the case in reality, where cores are located…
Stellar model atmospheres form the basis for any element abundance determination and hence are crucial ingredients for studies of stellar, galactic and cosmic evolution. With recent observational progress with the advent of 8m-class…
In modern applications, statisticians are faced with integrating heterogeneous data modalities relevant for an inference, prediction, or decision problem. In such circumstances, it is convenient to use a graphical model to represent the…
We investigate general aspects of molecular line formation under conditions which are typical of prestellar cores. Focusing on simple linear molecules, we study formation of their rotational lines by radiative transfer simulations. We…
We use a 0.040 < z < 0.085 sample of 37866 star-forming galaxies from the Fourth Data Release of the Sloan Digital Sky Survey to investigate the dependence of gas-phase chemical properties on stellar mass and environment. The local density,…
State-of-the-art cosmological hydrodynamical simulations have star particles with typical mass between $\sim 10^8$ and $\sim 10^3$ M$_{\odot}$ according to resolution, and treat them as simple stellar populations. On the other hand,…
(Abridged) The Central Molecular Zone (CMZ) of the Milky Way exhibits extreme conditions, including high gas densities, elevated temperatures, enhanced cosmic-ray ionization rates, and large-scale dynamics. Large-scale molecular surveys…
Astrochemical modeling is needed for understanding the formation and evolution of interstellar molecules, and for extracting physical information from spectroscopic observations of interstellar clouds. The modeling usually involves handling…
Recent work has produced a wealth of data concerning the chemical evolution of the galactic bulge, both for stars and nebulae. Present theoretical models generally adopt a limited range of such constraints, frequently using a single…
Diffusion models have emerged as a leading framework in generative modeling, poised to transform the traditionally slow and costly process of drug discovery. This review provides a systematic comparison of their application in designing two…