Research

Research updates, project reports, and results from SPML Lab.

  1. MADField: Multi-fidelity Amortized Density Field for Adsorption in Nanoporous Materials
    MADField learns adsorbate density fields from cDFT and GCMC, enabling fast uptake prediction and database-scale methane screening.
    Research · Published Jun 22, 2026 · Updated Sep 06, 2026 · 23 min read
  2. Human–AI Co-Discovery of a State-of-the-Art Crystal Structure Prediction Algorithm
    How HACO, a Human–AI Co-discovery system, produced MaskGXT, a competitive generative model for crystal structure prediction.
    Research · Published Jun 19, 2026 · Updated Sep 06, 2026 · 18 min read