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Important Concepts¶

In this page we introduce some important concepts explaining the operations of our platform. Links are attached to the keywords below, redirecting the user to the relevant documentation section containing more explanation.

Relationship¶

Our platform enables the execution of computational Workflows applied upon Materials, in order to extract a set of desired Properties. We refer to Jobs as "containers" of Workflows and Materials information.

The flowchart diagram below visualizes the general relationship between the above-mentioned entity types. Here, the Properties associated to each entity are labeled with P. Those properties which are computed as output of a Job (also referred to as Characteristic Properties), are shown in black - P, and consequently have a certain numerical precision inherited from the Workflow and Job.

Entities Relations

Jobs also refer to the simulation tasks on the Compute platform, as illustrated in the visual below.

Simulation Components

Main Entities¶

The three above-mentioned concepts of Workflows, Materials and Jobs can be grouped together under the same general umbrella term of Entities, due to the many features and user interface components that they share in common. We review the similarities under Entities and Common Aspects and then explain the details unique to each Entity type separately.

For example, Jobs have Accounting set up for. Workflows and Materials are both "Bankable" Entities. Workflows further consist of Subworkflows, and further of the combination of individual Units, such as portrayed in the example diagram below.

Workflow Components

Other Items¶

Such simulations can be performed with any of the available modeling Applications, implementing the supported theoretical Models and corresponding computational Methods.

Data and Infrastructure¶

Our platform is designed to store and organize the simulation Data in centralized databases, under the conventions of Structured Representation. A system of Queues is in place for scheduling and tracking the allocation of computational Resources, offered by the Clusters at the heart of our overall Infrastructure.