Code and datasets for manuscript

Copyright (c) 2025, Lawrence Livermore National Security, LLC.

Produced at the Lawrence Livermore National Laboratory.

Written by Alvina Aui, aui1@llnl.gov.

All rights reserved.

This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC5207NA27344 and was supported by Laboratory Directed Research and Development funding under project 22-SI-006. LLNL release no: LLNL-JRNL-863545.

This work was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor Lawrence Livermore National Security, LLC, nor any of their employees makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights.

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The code and dataset in this release was used for figures generation in the manuscript (DOI: 10.1021/acssuschemeng.5c02596)