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-sci2026
Quantum-inspired Chemical Rule for Discovering Topological Materials
Xinyu Xu, Rajibul Islam, Ghulam Hussain +5
Topological materials exhibit unique electronic structures that underpin both fundamental quantum phenomena and next-generation technologies, yet their discovery remains constraine…