Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows - Concepedia

Concepedia

Publication | Open Access

Atomate: A high-level interface to generate, execute, and analyze computational materials science workflows

DOI Full Paper Access

357

Citations

47

References

2017

Year

Kiran Mathew, Joseph H. Montoya, Alireza Faghaninia, Shyam Dwarakanath, Muratahan Aykol, Hanmei Tang, Iek‐Heng Chu, Tess Smidt, Brandon Bocklund, Matthew K. Horton,

Computational Materials Science

Materials ScienceComputational ScienceEngineeringScientific Workflow SystemHigh-level InterfaceMaterial SimulationSoftware EngineeringWorkflow PatternParallel ProgrammingComputer-aided DesignComputational ChemistryComputer ScienceChemistryWorkflow Management SystemComputational InfrastructureMolecular Dynamics

References

	Year	Citations

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