@article{schultz_2026,
    author    = {Schultz, Lane E. and Gantzler, Nickolas and Bobbitt, N. Scott and Sava Gallis, Dorina F. and Dingreville, R\'{e}mi},
    title     = {Graph neural network-based multi-objective Bayesian optimization for enhanced screening of metal–organic frameworks with optimal separation performance},
    journal   = {Journal of Materials Chemistry A},
    year      = {2026},
    volume    = {14},
    number    = {18},
    pages     = {10836--10853},
    doi       = {10.1039/D5TA09133K},
}

@article{afflerbach_2022,
    author = {Afflerbach, Benjamin T. and Francis, Carter and Schultz, Lane E. and Spethson, Janine and Meschke, Vanessa and Strand, Elliot and Ward, Logan and Perepezko, John H. and Thoma, Dan and Voyles, Paul M. and Szlufarska, Izabela and Morgan, Dane},
    doi = {10.1021/acs.chemmater.1c03542},
    journal = {Chemistry of Materials},
    title = {{Machine Learning Prediction of the Critical Cooling Rate for Metallic Glasses from Expanded Datasets and Elemental Features}},
    year = {2022},
    volume = {34},
    number = {7},
    pages = {2945--2954}
}

@article{afflerbach_2021,
    author = {Afflerbach, Benjamin T. and Schultz, Lane and Perepezko, John H. and Voyles, Paul M. and Szlufarska, Izabela and Morgan, Dane},
    doi = {10.1016/j.commatsci.2021.110728},
    journal = {Computational Materials Science},
    title = {{Molecular simulation-derived features for machine learning predictions of metal glass forming ability}},
    year = {2021},
    volume = {199},
    eid = {110728}
}

@article{schultz_2021,
    title = {Exploration of characteristic temperature contributions to metallic glass forming ability},
    journal = {Computational Materials Science},
    year = {2021},
    volume = {196},
    eid = {110494},
    doi = {10.1016/j.commatsci.2021.110494},
    author = {Lane E. Schultz and Benjamin Afflerbach and Carter Francis and Paul M. Voyles and Izabela Szlufarska and Dane Morgan},
}

@article{schultz_2022,
    title = {Molecular dynamic characteristic temperatures for predicting metallic glass forming ability},
    journal = {Computational Materials Science},
    year = {2022},
    volume = {201},
    eid = {110877},
    doi = {10.1016/j.commatsci.2021.110877},
    author = {Lane E. Schultz and Benjamin Afflerbach and Izabela Szlufarska and Dane Morgan},
}

@article{janqi_2020,
    title = {Microalloying effect in ternary {Al-Sm-X} ({X=Ag, Au, Cu}) metallic glasses studied by ab initio molecular dynamics},
    journal = {Computational Materials Science},
    year = {2020},
    volume = {185},
    eid = {109958},
    doi = {10.1016/j.commatsci.2020.109958},
    author = {J. Xi and G. Bokas and L. E. Schultz and M. Gao and L. Zhao and Y. Shen and J. H. Perepezko and D. Morgan and I. Szlufarska},
}

@article{agrawal_2024,
    title = {Accelerating ensemble uncertainty estimates in supervised materials property regression models},
    journal = {Computational Materials Science},
    year = {2025},
    volume = {246},
    eid = {113494},
    doi = {10.1016/j.commatsci.2024.113494},
    author = {Vidit Agrawal and Shixin Zhang and Lane E. Schultz and Dane Morgan},
}

@article{meng_2024,
    author = {Meng, Jun and Sheikh, Md Sariful and Schultz, Lane E. and Nachlas, William O. and Liu, Jian and Polak, Maciej P. and Jacobs, Ryan and Morgan, Dane},
    title = {Ultrafast Oxygen Conduction in Sillén Oxychlorides},
    journal = {Chemistry of Materials},
    year = {2025},
    volume = {37},
    number = {9},
    pages = {3147--3157},
    doi = {10.1021/acs.chemmater.4c03163},
}

@article{jacobs_2024,
    doi = {10.1088/2632-2153/ad95db},
    year = {2024},
    volume = {5},
    number = {4},
    eid = {045051},
    publisher = {IOP Publishing},
    author = {Jacobs, Ryan and Schultz, Lane E. and Scourtas, Aristana and Schmidt, K. J. and Price-Skelly, Owen and Engler, Will and Foster, Ian and Blaiszik, Ben and Voyles, Paul M. and Morgan, Dane},
    title = {Machine learning materials properties with accurate predictions, uncertainty estimates, domain guidance, and persistent online accessibility},
    journal = {Machine Learning: Science and Technology},
}

@inproceedings{schultz_2018,
    author = {Lane E. Schultz and Thomas J. Cogger and Ryan Good and James Schneider and Robert Rothschild and William Nollet},
    title = {Design of Torsional Test Stand for Micro-Newton Force Detection},
    booktitle = {2018 Aerodynamic Measurement Technology and Ground Testing Conference},
    year = {2018},
    doi = {10.2514/6.2018-3737},
}

@article{schultz_potentials_2024,
    title = {Machine learning metallic glass critical cooling rates through elemental and molecular simulation based featurization},
    journal = {Journal of Materiomics},
    % Published online in 2024; cite the final 2025 journal issue consistently.
    year = {2025},
    volume = {11},
    number = {4},
    eid = {100964},
    doi = {10.1016/j.jmat.2024.100964},
    author = {Lane E. Schultz and Benjamin Afflerbach and Paul M. Voyles and Dane Morgan},
}

@article{schultz_kde_2024,
    title = {A general approach for determining applicability domain of machine learning models},
    author = {Lane E. Schultz and Yiqi Wang and Ryan Jacobs and Dane Morgan},
    year = {2025},
    doi= {10.1038/s41524-025-01573-x},
    journal = {npj Computational Materials},
    volume = {11},
    number = {1},
    eid = {95},
}

@article{halls_2018,
    title = {Quantitative 10--50 {kHz X-ray} radiography of liquid spray distributions using a rotating-anode tube source},
    journal = {International Journal of Multiphase Flow},
    year = {2018},
    volume = {109},
    pages = {123--130},
    doi = {10.1016/j.ijmultiphaseflow.2018.07.014},
    author = {B. R. Halls and J. R. Gord and L. E. Schultz and W. C. Slowman and M. D. A. Lightfoot and S. Roy and T. R. Meyer},
}

@article{schmidt_2024,
    doi = {10.21105/joss.05467},
    year = {2024},
    author = {K. J. Schmidt and Aristana Scourtas and Logan Ward and Steve Wangen and Marcus Schwarting and Isaac Darling and Ethan Truelove and Aadit Ambadkar and Ribhav Bose and Zoa Katok and Jingrui Wei and Xiangguo Li and Ryan Jacobs and Lane Schultz and Doyeon Kim and Michael Ferris and Paul M. Voyles and Dane Morgan and Ian Foster and Ben Blaiszik},
    title = {{Foundry-ML} -- Software and Services to Simplify Access to Machine Learning Datasets in Materials Science},
    journal = {Journal of Open Source Software},
    volume = {9},
    number = {93},
    eid = {5467},
}

@online{jacobs2026kolmogorovarnoldnetworksappliedmaterials,
      title={Kolmogorov-Arnold Networks Applied to Materials Property Prediction},
      author={Ryan Jacobs and Lane E. Schultz and Dane Morgan},
      year={2026},
      eprinttype={arxiv},
      eprint={2601.20097},
      note={Preprint},
      doi={10.48550/arXiv.2601.20097},
}

@online{jacobs2024regressionlargelanguagemodels,
    title = {Regression with Large Language Models for Materials and Molecular Property Prediction},
    author = {Ryan Jacobs and Maciej P. Polak and Lane E. Schultz and Hamed Mahdavi and Vasant Honavar and Dane Morgan},
    year = {2024},
    doi = {10.48550/arXiv.2409.06080},
    eprinttype={arxiv},
    eprint={2409.06080},
    note={Preprint; revised April 2026},
}

@unpublished{schultz_sputtering_2026,
    author = {Schultz, Lane E. and Mings, Alex J. and Meyerson, Melissa L. and Jackson, Nathan and Adams, David P. and Dingreville, Rémi},
    title = {Atomistically Resolved Surface Binding Energies for {Mo--S} Systems: Implications for Sputter Yield and Film Deposition Modeling},
    year = {2026},
    note = {Under review},
}

@unpublished{schultz_llzo_2026,
    author = {Schultz, Lane E. and Monismith, Scott Q. and Francis, Noah M. and McBrayer, Josey D. and Dingreville, Rémi},
    title = {Accelerating {LLZO--Polymer} Composite Electrolyte Microstructure Screening Through Multi-Objective {Bayesian} Optimization},
    year = {2026},
    note = {In preparation},
}

@misc{presentation_EMC_2026,
    author    = {Schultz, Lane E. and Gantzler, Nickolas and Bobbitt, N. Scott and Sava Gallis, Dorina F. and Dingreville, R\'{e}mi},
    title = {{GNNs} for Selection of Optimal Metal Organic-Frameworks},
    year = {2026},
    howpublished = {Electronic Materials Conference},
    note = {Conference presentation},
    address = {Ann Arbor, MI},
}

@misc{presentation_TMS_2026,
    author    = {Schultz, Lane E. and Gantzler, Nickolas and Bobbitt, N. Scott and Sava Gallis, Dorina F. and Dingreville, R\'{e}mi},
    title = {{GNNs} for Selection of Optimal Metal Organic-Frameworks},
    year = {2026},
    howpublished = {TMS 2026, The Minerals, Metals \& Materials Society},
    note = {Conference presentation},
    address = {San Diego, CA},
}

@misc{poster_CLSAC_2025,
    author    = {Schultz, Lane E. and Gantzler, Nickolas and Bobbitt, N. Scott and Sava Gallis, Dorina F. and Dingreville, R\'{e}mi},
    title = {Graph Neural Network-Driven Multi-Objective Bayesian Optimization for Discovering Metal-Organic Frameworks with Optimal Separation Performance},
    year = {2025},
    howpublished = {Chesapeake Large Scale Analytics Conference},
    note = {Poster},
    address = {Annapolis, MD},
}

@misc{schultz_presentation_2021,
    author = {Schultz, Lane E. and Afflerbach, Benjamin T. and Morgan, Dane},
    title = {Molecular Dynamic Characteristic Temperatures for Predicting Metallic Glass Forming Ability},
    year = {2021},
    howpublished = {Materials Science \& Technology},
    note = {Conference presentation},
    address = {Columbus, OH},
}

@misc{schultz_presentation_2020,
    author = {Schultz, Lane E. and Afflerbach, Benjamin T. and Morgan, Dane},
    title = {Molecular Dynamics Features for Predicting Metallic Glass Critical Casting Thickness},
    year = {2020},
    howpublished = {Virtual Materials Research Society Spring/Fall Meeting \& Exhibit},
    note = {Conference presentation},
}

@inproceedings{schneider_2016,
    author = {Schneider, James and Schultz, Lane E. and Mancha, Sophie and Hicks, Eric and Smith, Ryan N.},
    booktitle = {OCEANS 2016 MTS/IEEE Monterey},
    title = {Development of a portable water quality sensor for river monitoring from small rafts},
    year = {2016},
    pages = {1--10},
    doi = {10.1109/OCEANS.2016.7761392},
}