arXiv - PHYS - Materials Science

Sampling Latent Material-Property Information From LLM-Derived Embedding Representations

Pub Date : 2024-09-18 DOI: arxiv-2409.11971 Luke P. J. Gilligan, Matteo Cobelli, Hasan M. Sayeed, Taylor D. Sparks, Stefano Sanvito

Smart Data-Driven GRU Predictor for SnO$_2$ Thin films Characteristics

Pub Date : 2024-09-18 DOI: arxiv-2409.11782 Faiza Bouamra, Mohamed Sayah, Labib Sadek Terrissa, Noureddine Zerhouni

Accelerating the Training and Improving the Reliability of Machine-Learned Interatomic Potentials for Strongly Anharmonic Materials through Active Learning

Pub Date : 2024-09-18 DOI: arxiv-2409.11808 Kisung Kang, Thomas A. R. Purcell, Christian Carbogno, Matthias Scheffler