An increased synergy between experimental and theoretical investigations in
heterogeneous catalysis has become apparent during the last decade. Experimental work …

Reproducible computational research (RCR) is the keystone of the scientific method for in
silico analyses, packaging the transformation of raw data to published results. In addition to …

Provenance refers to any information describing the production process of an end product,
which can be anything from a piece of digital data to a physical object. While this survey …

Data provenance describes how data came to be in its present form. It includes data sources
and the transformations that have been applied to them. Data provenance has many uses …

Scientific workflow management systems offer features for composing complex
computational pipelines from modular building blocks, for executing the resulting automated …

Network ecology provides a systems basis for approaching ecological questions, such as
factors that influence biological diversity, the role of particular species or particular traits in …

Scripts are widely used to design and run scientific experiments. Scripting languages are
easy to learn and use, and they allow complex tasks to be specified and executed in fewer …

The designers of a new coordination interface enacting complex workflows have to tackle a
dichotomy: choosing a language-independent or language-dependent approach. Language …

The noWorkflow and YesWorkflow toolkits both enable researchers to capture, store, query,
and visualize the provenance of results produced by scripts that process scientific data …

While reproducibility has been a requirement in natural sciences for centuries,
computational experiments have not followed the same standard. Often, there is insufficient …