Luis M. Antunes
- Crystal Structure Generation with Autoregressive Large Language Modeling
2023/07/10 by Luis M. Antunes, Antunes, Luis M., Keith T. Butler +3 · 51 citations
Materials Science · Chemical Engineering · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography #Catalysis and Oxidation Reactions
- Distributed Representations of Atoms and Materials for Machine Learning
2021/07/30 by Luis M. Antunes, Ricardo Grau‐Crespo, Antunes, Luis M. +3 · 3 citations
Computer Science · Materials Science · #Computational Drug Discovery Methods #FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
- Predicting Thermoelectric Transport Properties from Composition with Attention-based Deep Learning
2022/12/13 by Luis M. Antunes, Antunes, Luis M., Keith T. Butler +3 · 3 citations
Chemistry · Materials Science · #Advanced Thermoelectric Materials and Devices #FOS: Physical sciences #Inorganic Chemistry and Materials #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)