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Workflows in AiiDA: Engineering a high-throughput, event-based engine for robust and modular computational workflows

Related concepts (34)
Data model
A data model is an abstract model that organizes elements of data and standardizes how they relate to one another and to the properties of real-world entities. For instance, a data model may specify that the data element representing a car be composed of a number of other elements which, in turn, represent the color and size of the car and define its owner. The corresponding professional activity is called generally data modeling or, more specifically, database design.
Scientific community
The scientific community is a diverse network of interacting scientists. It includes many "sub-communities" working on particular scientific fields, and within particular institutions; interdisciplinary and cross-institutional activities are also significant. Objectivity is expected to be achieved by the scientific method. Peer review, through discussion and debate within journals and conferences, assists in this objectivity by maintaining the quality of research methodology and interpretation of results.
Mobile processor
A mobile processor is a microprocessor designed for mobile devices such as laptops, and cell phones. A CPU chip is designed for portable computers to run fanless, under 10 to 15W, which is cool enough without a fan. It is typically housed in a smaller chip package, but more importantly, in order to run cooler, it uses lower voltages than its desktop counterpart and has more sleep mode capability. A mobile processor can be throttled down to different power levels or sections of the chip can be turned off entirely when not in use.
Business rules engine
A business rules engine is a software system that executes one or more business rules in a runtime production environment. The rules might come from legal regulation ("An employee can be fired for any reason or no reason but not for an illegal reason"), company policy ("All customers that spend more than $100 at one time will receive a 10% discount"), or other sources. A business rule system enables these company policies and other operational decisions to be defined, tested, executed and maintained separately from application code.
High-performance computing
High-performance computing (HPC) uses supercomputers and computer clusters to solve advanced computation problems. HPC integrates systems administration (including network and security knowledge) and parallel programming into a multidisciplinary field that combines digital electronics, computer architecture, system software, programming languages, algorithms and computational techniques. HPC technologies are the tools and systems used to implement and create high performance computing systems.
Batch processing
Computerized batch processing is a method of running software programs called jobs in batches automatically. While users are required to submit the jobs, no other interaction by the user is required to process the batch. Batches may automatically be run at scheduled times as well as being run contingent on the availability of computer resources. The term "batch processing" originates in the traditional classification of methods of production as job production (one-off production), batch production (production of a "batch" of multiple items at once, one stage at a time), and flow production (mass production, all stages in process at once).
Knowledge
Knowledge is a form of awareness or familiarity. It is often understood as awareness of facts or as practical skills, and may also mean familiarity with objects or situations. Knowledge of facts, also called propositional knowledge, is often defined as true belief that is distinct from opinion or guesswork by virtue of justification. While there is wide agreement among philosophers that propositional knowledge is a form of true belief, many controversies in philosophy focus on justification.
Minimum spanning tree
A minimum spanning tree (MST) or minimum weight spanning tree is a subset of the edges of a connected, edge-weighted undirected graph that connects all the vertices together, without any cycles and with the minimum possible total edge weight. That is, it is a spanning tree whose sum of edge weights is as small as possible. More generally, any edge-weighted undirected graph (not necessarily connected) has a minimum spanning forest, which is a union of the minimum spanning trees for its connected components.
Goal
A goal or objective is an idea of the future or desired result that a person or a group of people envision, plan and commit to achieve. People endeavour to reach goals within a finite time by setting deadlines. A goal is roughly similar to a purpose or aim, the anticipated result which guides reaction, or an end, which is an object, either a physical object or an abstract object, that has intrinsic value. Goal setting Goal-setting theory was formulated based on empirical research and has been called one of the most important theories in organizational psychology.
Discovery (observation)
Discovery is the act of detecting something new, or something previously unrecognized as meaningful. Concerning sciences and academic disciplines, discovery is the observation of new phenomena, new actions, or new events and providing new reasoning to explain the knowledge gathered through such observations with previously acquired knowledge from abstract thought and everyday experiences. A discovery may sometimes be based on earlier discoveries, collaborations, or ideas.

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