Active Learning for the Design of a Ductile Nanocomposite from Brittle Constituents: Raw data

Published: 5 June 2026| Version 1 | DOI: 10.17632/d4cv48gndz.1
Contributors:
,
, Trenton Kirchdoerfer,

Description

The data here were generated during the active learning sampling process. README.md describes how the data included here was generated and formatted. All data presented here were generated on the AiMOS cluster at Rensselaer Polytechnic Institute. Code used to generate this data is available at: https://github.com/mppotter/nanocomposite-al Mark Potter generated the simulation data, developed the associated code, ran the simulations, processed the data, and prepared the dataset. Yunfeng Shi contributed to conceptualization, supervision, funding acquisition, and manuscript development. Charles Jekel and Trenton Kirchoerfer contributed to project guidance, interpretation, and manuscript review.

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Molecular Dynamics, Nanocomposite

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