2 papers
physics.chem-ph2026
Graph Neural Network Predictions of Carbon 1s Binding Energies with Near-Experimental Accuracy
Adam E. A. Fouda, Joshua Zhou, Rodrigo Ferreira +10
Graph neural networks are promising architectures for fast, accurate and transferable predictions of core-electron binding energies, which depend on the local bond environment. Her…
cs.LG2025
Hierarchical Deep Research with Local-Web RAG: Toward Automated System-Level Materials Discovery
Rui Ding, Rodrigo Pires Ferreira, Yuxin Chen +1
We present a long-horizon, hierarchical deep research (DR) agent designed for complex materials and device discovery problems that exceed the scope of existing Machine Learning (ML…