8 citations · 8 across the 4 of their papers we have counts for
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cs.LG2026
MolCrystalFlow: Molecular Crystal Structure Prediction via Flow Matching
Cheng Zeng, Harry W. Sullivan, Thomas Egg +8
Molecular crystal structure prediction represents a grand challenge in computational chemistry due to large sizes of constituent molecules and complex intra- and intermolecular int…
cs.LG2024★ 8 cited
Data-efficient and Interpretable Inverse Materials Design using a Disentangled Variational Autoencoder
Cheng Zeng, Zulqarnain Khan, Nathan L. Post
Inverse materials design has proven successful in accelerating novel material discovery. Many inverse materials design methods use unsupervised learning where a latent space is lea…