most citedContrastive Learning of English Language and Crystal Graphs for Multimodal Representation of Materials Knowledge

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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…

physics.chem-ph2025★ 2 cited

Retro-Rank-In: A Ranking-Based Approach for Inorganic Materials Synthesis Planning

Thorben Prein, Elton Pan, Sami Haddouti +8

Retrosynthesis strategically plans the synthesis of a chemical target compound from simpler, readily available precursor compounds. This process is critical for synthesizing novel…