3 papers
physics.chem-ph2026
PackFlow: Generative Molecular Crystal Structure Prediction via Reinforcement Learning Alignment
Akshay Subramanian, Elton Pan, Juno Nam +6
Organic molecular crystals underpin technologies ranging from pharmaceuticals to organic electronics, yet predicting solid-state packing of molecules remains challenging because ca…
cs.CV2025
Patch-aware Vector Quantized Codebook Learning for Unsupervised Visual Defect Detection
Qisen Cheng, Shuhui Qu, Janghwan Lee
Unsupervised visual defect detection is critical in industrial applications, requiring a representation space that captures normal data features while detecting deviations. Achievi…
cond-mat.mtrl-sci2024
Efficient Generation of Molecular Clusters with Dual-Scale Equivariant Flow Matching
Akshay Subramanian, Shuhui Qu, Cheol Woo Park +3
Amorphous molecular solids offer a promising alternative to inorganic semiconductors, owing to their mechanical flexibility and solution processability. The packing structure of th…