density functional theory 1large language models 1machine learning 1materials discovery 1topological materials 1
From the 1 of 2 linked papers with an AI index.
2 papers
cond-mat.mtrl-sci2026
TXL Fusion: A Hybrid Machine Learning Framework Integrating Chemical Heuristics and Large Language Models for Topological Materials Discovery
Arif Ullah, Rajibul Islam, Yangming Huang +4
The paper presents TXL Fusion, a hybrid machine‑learning system that combines chemical heuristics, physics‑based descriptors, and large language model embeddings to classify and pr…
cond-mat.mtrl-sci2025
Synergistic modulation of band structure and phonon transport for higher thermoelectric performance of WSe2
Mazhar Hussain Danish, Amil Aligayev, Zahir Muhammad +8
Tungsten diselenide (WSe2) emerges as a promising thermoelectric (TE) candidate due to its high thermopower (S), cost-effectiveness, and environmentally friendly characteristics. H…