Publications

  • Crystal Structure Generation with Autoregressive Large Language Modeling
    Antunes, L. M., Butler, K. T., & Grau-Crespo, R. (2023).
    arXiv preprint arXiv:2307.04340
  • Predicting thermoelectric transport properties from composition with attention-based deep learning
    Antunes, L. M., Butler, K. T., & Grau-Crespo, R. (2023).
    Mach. Learn.: Sci. Technol. 4 015037
  • Machine Learning Approaches for Accelerating the Discovery of Thermoelectric Materials
    Antunes, L. M., Vikram, Plata, J. J., Powell, A. V., Butler, K. T., & Grau-Crespo, R. (2022). In Machine Learning in Materials Informatics: Methods and Applications (pp. 1-32). American Chemical Society.
  • Distributed representations of atoms and materials for machine learning
    Antunes, L. M., Grau-Crespo, R., & Butler, K. T. (2022).
    npj Computational Materials, 8(1), 1-9.