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Astronomical data take on a multitude of forms -- catalogs, data cubes, images, and simulations. The availability of software for rendering high-quality three-dimensional graphics lends itself to the paradigm of exploring the incredible…
Building blocks and tiles are an excellent way of learning about geometry and mathematics in general. There are several versions of tiles that are either snapped together or connected with magnets that can be used to introduce topics like…
Many tools and techniques measure local structure in materials in contexts ranging from biology to geology. We provide a survey of those tools and metrics that are especially useful for analyzing particulate soft matter. The metrics we…
A graphical model is a statistical model that is associated to a graph whose nodes correspond to variables of interest. The edges of the graph reflect allowed conditional dependencies among the variables. Graphical models admit…
Computational models are quantitative representations of systems. By analyzing and comparing the outputs of such models, it is possible to gain a better understanding of the system itself. Though as the complexity of model outputs…
Scientific computation is a discipline that combines numerical analysis, physical understanding, algorithm development, and structured programming. Several yottacycles per year on the world's largest computers are spent simulating problems…
Researchers got success in mining the Web usage data effectively and efficiently. But representation of the mined patterns is often not in a form suitable for direct human consumption. Hence mechanisms and tools that can represent mined…
Authors of biomedical publications use gel images to report experimental results such as protein-protein interactions or protein expressions under different conditions. Gel images offer a concise way to communicate such findings, not all of…
Experimental approaches have been applied to address questions in understanding three-dimensional chromatin organisation and function. As datasets increase in size and complexity, it becomes a challenge to reach a mechanistic interpretation…
In the last two decades the growth of computational resources has made it possible to handle Generalized Additive Models (GAMs) that formerly were too costly for serious applications. However, the growth in model complexity has not been…
While many good textbooks are available on Protein Structure, Molecular Simulations, Thermodynamics and Bioinformatics methods in general, there is no good introductory level book for the field of Structural Bioinformatics. This book aims…
For several decades, chemical knowledge has been published in written text, and there have been many attempts to make it accessible, for example, by transforming such natural language text to a structured format. Although the discovered…
All-atom simulations can provide molecular-level insights into the dynamics of gas-phase, condensed-phase and surface processes. One important requirement is a sufficiently realistic and detailed description of the underlying intermolecular…
Hasse diagrams provide a principled means for visualizing the structure of statistical designs constructed by crossing and nesting of experimental factors. They have long been applied for automated construction of linear models and their…
We examine several currently used techniques for visualizing complex-valued functions applied to modular forms. We plot several examples and study the benefits and limitations of each technique. We then introduce a method of visualization…
In this introductory review, we give an overview of the computational chemistry methods commonly used in the field of metal-organic frameworks (MOFs), to describe or predict the structures themselves and characterize their various…
The analysis of structured complex data, such as clustered graph based datasets, usually applies a variety of visual representation techniques and formats. The majority of currently available tools and approaches to exploratory…
Probabilistic models inform an increasingly broad range of business and policy decisions ultimately made by people. Recent algorithmic, computational, and software framework development progress facilitate the proliferation of Bayesian…
The use of applications on computers, smartphones, and tablets has been considerably simplied thanks to interactive and dynamic graphical interfaces coupled with the mouse and touch screens. It is no longer necessary to be a computer…