Related papers: Mol-D a Database and a Web Service within the Serb…
Much of what we know about molecular clouds, and by extension star formation, comes from molecular line observations. Interpreting these correctly requires knowledge of the underlying molecular abundances. Simulations of molecular clouds…
Molecular Dynamics (MD) simulations are ubiquitous in cutting-edge physio-chemical research. They provide critical insights into how a physical system evolves over time given a model of interatomic interactions. Understanding a system's…
The complexity of the data generated by (magneto)-hydrodynamic (HD/MHD) simulations requires advanced tools for their analysis and visualization. The dramatic improvements in virtual reality (VR) technologies have inspired us to seek the…
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…
We present two dimensional cylindrically symmetric hydrodynamic simulations and synthetic emission maps of a stellar wind propagating into an infalling, rotating environment. The resulting outflow morphology, collimation and stability…
In a collaboration of the German Astrophysical Virtual Observatory (GAVO) and AstroGrid-D, the German Astronomy Community Grid (GACG), we provide a VO service for the access and the calculation of stellar synthetic energy distributions…
Molecular clouds are the principle stellar nurseries of our universe, keeping them in the focus of both observational and theoretical studies. From observations, some of the key properties of molecular clouds are well known but many…
Web Services form a new, emerging paradigm to handle distributed access to resources over the Internet. There are platform independent standards (SOAP, WSDL), which make the developers? task considerably easier. This article discusses how…
Molecular visualization software has long supported research and education in chemical and structural sciences, but consumer devices constrained to 2D inputs and outputs pose two major challenges: they poorly convey 3D nature, and 3D…
A new web-server called The Molecule Calculator (MolCalc) is presented. The entry page is a molecular editor (JSmol) for interactive molecule building. The resulting structure can then be used to estimate molecular properties such as heats…
Molecular dynamics (MD) simulations can model the interactions between macromolecules with high spatiotemporal resolution but at a high computational cost. By combining high-throughput MD with Markov state models (MSMs), it is now possible…
A physical model and two-dimensional numerical method for computing the evolution and spectra of protostellar clouds are described. The physical model is based on a system of magneto-gasdynamical equations, including ohmic and ambipolar…
We review the capabilities of the NASA/IPAC Extragalactic Database (NED, http://ned.ipac.caltech.edu) for information retrieval and knowledge discovery in the context of a globally distributed virtual observatory. Since its inception in…
Large Language Models (LLMs) have significantly advanced molecular discovery, but existing multimodal molecular architectures fundamentally rely on autoregressive (AR) backbones. This strict left-to-right inductive bias is sub-optimal for…
Field emission coupled with molecular dynamics simulation (FEcMD) software package is a computational tool for studying atomic structure evolution, structural deformation, phase transitions, recrystallization as well as electron emission…
Complex organic molecules (COMs), the building blocks of life, have been extensively detected under various physical conditions, from quiescent clouds to star-forming regions. They therefore serve as excellent tracers for the local physical…
Slowly rotating magnetic massive stars develop "dynamical magnetospheres" (DM's), characterized by trapping of stellar wind outflow in closed magnetic loops, shock heating from collision of the upflow from opposite loop footpoints, and…
Machine learning (ML) has become a key tool in astronomy, driving advancements in the analysis and interpretation of complex datasets from observations. This article reviews the application of ML techniques in the identification and…
We describe the atomic database of the XSTAR spectral modeling code, summarizing the systematic upgrades carried out in the past twenty years to enable the modeling of K lines from chemical elements with atomic number $Z\leq 30$ and recent…
We introduced a semi-analytic model to study the detail of radial related processes on galaxy disks. Based on this recipe, we can calculate neutral and molecular gas in interstellar medium, and include the molecular phase into star…