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In the study of crystal nucleation via computer simulations, hard spheres are arguably the most extensively explored model system. Nonetheless, even in this simple model system, the complex thermodynamics of crystal nuclei can sometimes…

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…

Mapping galaxies at low Galactic latitudes and determining their clustering status are fundamental steps in defining the large-scale structure in the nearby Universe. The VVV Near-IR Galaxy Catalogue (VVV NIRGC) allows us to explore this…

Context. Open clusters provide valuable information on stellar nucleosynthesis and the chemical evolution of the Galactic disc, as their age and distances can be measured more precisely with photometry than for field stars. Aims. Our aim is…

We use high-resolution hydrodynamic simulations to investigate the density profile of hot gas in clusters of galaxies, adopting a variant of cold dark matter cosmologies and employing a cosmological N-body/smoothed particle hydrodynamics…

We present results on the X-ray properties of clusters and groups of galaxies, extracted from a large hydrodynamical simulation. We used the GADGET code to simulate a LambdaCDM model within a box of 192 Mpc/h on a side, with 480^3 dark…

Using density-functional theory in combination with a thermodynamic formalism we calculate the relative stability of various structural models of the polar O-terminated (000-1)-O surface of ZnO. Model surfaces with different concentrations…

The thermodynamics of the diffuse, X-ray emitting gas in clusters of galaxies is linked to the entropy level of the intra cluster medium. In particular, models that successfully reproduce the properties of local X-ray clusters and groups…

An analytical model for the postcollapse equilibrium structure of virialized objects which condense out of the cosmological background universe is described and compared with observations and simulations of cosmological halos. The model is…

Open clusters (OCs) are recognised as excellent tracers of Galactic thin-disc properties. At variance with intermediate-age and old OCs, for which a significant number of studies is now available, clusters younger than 150 Myr have been…

The lowest-energy structure, distribution of isomers, and their molecular properties depend significantly on the geometry and temperature. The total energy computations under DFT methodology are typically carried out at zero temperature;…

Recent observations indicate potentially carbon-rich exoplanet atmospheres. Spectral fitting methods for brown dwarfs and exoplanets have invoked the C/O ratio as additional parameter but carbon-rich cloud formation modeling is a challenge…

Volatility-dependent fractionation of the rock-forming elements at high temperatures is an early, widespread process during formation of the earliest solids in protoplanetary disks. Equilibrium condensation calculations allow prediction of…

Employing Monte-Carlo simulation techniques we investigate the statistical properties of equally charged particles confined in a one-dimensional box trap and detect a crossover from a crystalline to a cluster phase with increasing…

We jointly analyze Bolocam Sunyaev-Zeldovich (SZ) effect and Chandra X-ray data for a set of 45 clusters to derive gas density and temperature profiles without using spectroscopic information. The sample spans the mass and redshift range $3…

We present a method (the Aufbau/Abbau method) for optimizing the structure of a whole series of clusters without making any assumptions on the structure. Subsequently, the method is combined with the embedded-atom method in determining the…

We investigate nuclear matter at finite temperature and density, including the formation of light clusters up to the alpha particle The novel feature of this work is to include the formation of clusters as well as their dissolution due to…

Atomic cooling haloes with virial temperatures $\rm T_{vir} \geq 10^{4}$ K are the most plausible sites for the formation of the first galaxies and the first intermediate mass black holes. It is therefore important to assess whether one can…

We present an ab-initio study of boron nitride as well as carbon allotropes. Their relative thermodynamic stabilities and structural phase transitions from low- to high-density phases are investigated. Pressure-temperature phase diagrams…

The nature of sub-Neptunes is one of the hottest topics in exoplanetary science. Temperate sub-Neptunes are of special interest because some could be habitable. Here, we consider whether these planets might instead be rocky worlds with…