Publications

• Crystal structure generation with autoregressive large language modeling
  Antunes, L. M., Butler, K. T., & Grau-Crespo, R. (2024).
  Nature Communications 15, 10570

  Article     Blog     Code     Demo

• Predicting thermoelectric transport properties from composition with attention-based deep learning
  Antunes, L. M., Butler, K. T., & Grau-Crespo, R. (2023).
  Machine Learning: Science and Technology 4 015037

  Article     Blog     Code     Demo

• 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.

  Article

• 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.

  Article     Blog     Code