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• Neural canonical transformations for vibrational spectra of molecules
  2024 · 12 citations
• Neural Canonical Transformations for Quantum Anharmonic Solids of Lithium
  2024 · 5 citations
• Modeling enzyme temperature stability from sequence segment perspective
  2025 · 4 citations
• A Global Spacetime Optimization Approach to the Real-Space Time-Dependent Schrödinger Equation
  2025 · 1 citations
• $m^\ast$ of two-dimensional electron gas: a neural canonical transformation study
  2022 · 1 citations
• Neural Canonical Transformation for the Spectra of Fluxional Molecule CH5+
  2025
• HSA-Net: Hierarchical and Structure-Aware Framework for Efficient and Scalable Molecular Language Modeling
  2025
• Deep variational free energy prediction of dense hydrogen solid at 1200K
  2025
• A Novel Framework Integrating AI Model and Enzymological Experiments Promotes Identification of SARS-CoV-2 3CL Protease Inhibitors and Activity-based Probe
  2021