DOE OSTI · code-5518
DEPRECATED LaDa™ [SWR-12-10]
Abstract
DEPRECATED This repository was archived by the owner on Apr 24, 2023. It is now read-only.High-Throughput software platform to create/launch/analyze physics-related calculations. The front-end is a python API which allows the user to create any conceivable first-principles physics calculation. Is is coupled to an ipython interface to launch and retrieve large number of calculations. It was successfully used in high-throughput calculations of point defect formation enthalpies, compound formation enthalpies, and a genetic algorithm search of direct-gap silicon/germanium structures.
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d'Avezac, Mayeul, Graf, Peter, Zhang, Lijun, Peng, Haowei, Stevanovic, Vladan. 2017-07-18. DEPRECATED LaDa™ [SWR-12-10]. https://doi.org/10.11578/dc.20171025.1976
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