byzantine resilience 1decentralized optimization 1density functional theory 1large language models 1machine learning 1materials discovery 1multi-agent systems 1proximal methods 1stochastic gradient 1topological materials 1variance reduction 1
From the 2 of 35 papers with an AI index.
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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★ 19 cited
NEP89: Universal neuroevolution potential for inorganic and organic materials across 89 elements
Ting Liang, Ke Xu, Eric Lindgren +16
While machine-learned interatomic potentials offer near-quantum-mechanical accuracy for atomistic simulations, many are material-specific or computationally intensive, limiting the…
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…