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Stochastic fluctuations of molecule numbers are ubiquitous in biological systems. Important examples include gene expression and enzymatic processes in living cells. Such systems are typically modelled as chemical reaction networks whose…
We present a partition-free approach to the evolution of density matrices for open quantum systems coupled to a harmonic environment. The influence functional formalism combined with a two-time Hubbard-Stratonovich transformation allows us…
We present a numerical approximation technique for the analysis of continuous-time Markov chains that describe networks of biochemical reactions and play an important role in the stochastic modeling of biological systems. Our approach is…
With continued advances in Geographic Information Systems and related computational technologies, statisticians are often required to analyze very large spatial datasets. This has generated substantial interest over the last decade, already…
We propose a new, harmonically enriched multiscale coarse space (HEM) for domain decomposition methods. For a coercive high contrast model problem, we show how to enrich the coarse space so that the method is robust against any variations…
The overwhelming majority of molecules remains unexplored. This is mostly due to the sheer number of them, which prohibits any enumeration of chemical space, the set of all such molecules. In practice, only subsets of chemical space are…
Astrochemical models are important tools to interpret observations of molecular and atomic species in different environments. However, these models are time-consuming, precluding a thorough exploration of the parameter space, leading to…
Observations of low-mass protostellar systems show evidence of rich complex organic chemistry. Their low luminosity, however, makes determining abundance distributions of complex organic molecules (COMs) within the water snowline…
In contrast to entropy, which increases monotonically, the "complexity" or "interestingness" of closed systems seems intuitively to increase at first and then decrease as equilibrium is approached. For example, our universe lacked complex…
The behavior of some stochastic chemical reaction networks is largely unaffected by slight inaccuracies in reaction rates. We formalize the robustness of state probabilities to reaction rate deviations, and describe a formal connection…
Despite the importance of a thermodynamically stable structure with a conserved fold for protein function, almost all evolutionary models neglect site-site correlations that arise from physical interactions between neighboring amino acid…
The problem of fast items retrieval from a fixed collection is often encountered in most computer science areas, from operating system components to databases and user interfaces. We present an approach based on hash tables that focuses on…
The chemical composition of galaxies offers vital insights into their formation and evolution. In particular, the relationship between helium abundance (He/H) and metallicity serves as a key diagnostic for estimating the primordial helium…
The evolution of the content of heavy elements in galaxies, the relative chemical abundances, their spatial distribution, and how these scale with various galactic properties, provide unique information on the galactic evolutionary…
Astrochemical modelling of the interstellar medium typically makes use of complex computational codes with parameters whose values can be varied. It is not always clear what the exact nature of the relationship is between these input…
In the hierarchical structure formation model cosmic halos are supposed to form by accretion of smaller units along anisotropic direction, defined by large-scale filamentary structures. After the epoch of primary mass aggregation (which…
Integration is affected by the curse of dimensionality and quickly becomes intractable as the dimensionality of the problem grows. We propose a randomized algorithm that, with high probability, gives a constant-factor approximation of a…
We develop a hybrid model of galactic chemical evolution that combines a multi-ring computation of chemical enrichment with a prescription for stellar migration and the vertical distribution of stellar populations informed by a cosmological…
A method is presented that can find the global minimum of very complex condensed matter systems. It is based on the simple principle of exploring the configurational space as fast as possible and of avoiding revisiting known parts of this…
We consider particles on a one-dimensional lattice whose evolution is governed by nearest-neighbor interactions where particles that have reached size zero are removed from the system. Concentrating on configurations with infinitely many…