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Molecular simulations and biophysical experiments can be used to provide independent and complementary insights into the molecular origin of biological processes. A particularly useful strategy is to use molecular simulations as a modelling…
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…
In studies of the interstellar medium in galaxies, radiative transfer models of molecular emission are useful for relating molecular line observations back to the physical conditions of the gas they trace. However, doing this requires…
We propose the first, to our knowledge, coarse-grained modeling strategy for peptides where the effect of changes of the pH can be efficiently described. The idea is based on modeling the effects of the pH value on the main driving…
Understanding the chemical evolution of young (high-mass) star-forming regions is a central topic in star formation research. Chemistry is employed as a unique tool 1) to investigate the underlying physical processes and 2) to characterize…
Atomistic simulations have become a powerful tool in materials research due to the extremely fine spatial and temporal resolution provided by such techniques. In order to understand the fundamental principles which govern material behavior…
A comprehensive new approach is presented for deriving probability densities of physical properties characterizing lens or source that constitute an observed galactic microlensing event. While previously encountered problems are overcome,…
The detection and subsequent characterisation of exoplanets are intimately linked to the characteristics of their host star. Therefore, it is necessary to study the star in detail in order to understand the formation history and…
Phylogenetic methods have long been used in biology, and more recently have been extended to other fields - for example, linguistics and technology - to study evolutionary histories. Galaxies also have an evolutionary history, and fall…
We propose a new type of diffuse interface model describing the evolution of a tumor mass under the effects of a chemical substance (e.g., a nutrient or a drug). The process is described by utilizing the variables $\varphi$, an order…
Systems biology and whole-cell modelling are demanding increasingly comprehensive mathematical models of cellular biochemistry. These models require the development of simplified models of specific processes which capture essential…
Observations of elemental abundances in the Galaxy have repeatedly shown an intrinsic scatter as a function of time and metallicity. The standard approach to chemical evolution does not attempt to address this scatter in abundances since…
Molecular dynamics simulations use statistical mechanics at the atomistic scale to enable both the elucidation of fundamental mechanisms and the engineering of matter for desired tasks. The behavior of molecular systems at the microscale is…
Theoretical physical-chemical models for the formation of planetary systems depend on data quality for the Sun's composition, that of stars in the solar neighbourhood, and of the estimated "pristine" compositions for stellar systems. The…
Chemical diversity of the gas in low-mass protostellar cores is widely recognized. In order to explore its origin, a survey of chemical composition toward 36 Class 0/I protostars in the Perseus molecular cloud complex, which are selected in…
Reliable predictions of the behaviour of chemical systems are essential across many industries, from nanoscale engineering over validation of advanced materials to nanotoxicity assessment in health and medicine. For the future we therefore…
Systematic surveys of massive clumps have been carried out to study the conditions leading to the formation of massive stars. These clumps are typically at large distances and unresolved, so their physical properties cannot be reliably…
The interstellar medium of low-metallicity systems undergoing star formation will show chemical abundance inhomogeneities due to supernova events enriching the medium on a local scale. If the star formation time-scale is shorter than the…
We study the sources of biases and systematics in the derivation of galaxy properties of observational studies, focusing on stellar masses, star formation rates, gas/stellar metallicities, stellar ages and magnitudes/colors. We use…
Statistical modeling is a powerful tool for developing and testing theories by way of causal explanation, prediction, and description. In many disciplines there is near-exclusive use of statistical modeling for causal explanation and the…