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• Allegro-Legato: Scalable, Fast, and Robust Neural-Network Quantum Molecular Dynamics via Sharpness-Aware Minimization
  2023 · 14 citations
• Multiscale Graph Neural Networks for Protein Residue Contact Map Prediction
  2022 · 2 citations
• Multiscale light-matter dynamics in quantum materials: from electrons to topological superlattices
  2025 · 1 citations
• Predictive Synthesis of Quantum Materials by Probabilistic Reinforcement Learning
  2020
• Physics-informed Neural-Network Software for Molecular Dynamics Applications
  2020