Universal and Experiment-calibrated Prediction of XANES through Crystal Graph Neural Network and Transfer Learning Strategy

Documents similaires

• AI-Driven Accelerated Discovery of Intercalation-type Cathode Materials for Magnesium Batteries
  par: Chen, Wenjie, et autres
  Publié: (2024)
• ChemGraph-XANES: An Agentic Framework for XANES Simulation and Analysis
  par: Grizzi, Vitor F., et autres
  Publié: (2026)
• CTGNN: Crystal Transformer Graph Neural Network for Crystal Material Property Prediction
  par: Du, Zijian, et autres
  Publié: (2024)
• XANE(3): An E(3)-Equivariant Graph Neural Network for Accurate Prediction of XANES Spectra from Atomic Structures
  par: Grizzi, Vitor F., et autres
  Publié: (2026)
• Equivariant Graph Neural Networks for Prediction of Tensor Material Properties of Crystals
  par: Heilman, Alex, et autres
  Publié: (2024)