Pattern-free generation and quantum mechanical scoring of ring-chain tautomers. - Daniel S. Levine 003; Mark A. Watson; Leif D. Jacobson; Claire E. Dickerson; Haoyu S. Yu; Art D. Bochevarov (J. Comput. Aided Mol. Des., 2021)

Learning Smooth and Expressive Interatomic Potentials for Physical Property Prediction. - Xiang Fu 005; Brandon M. Wood; Luis Barroso-Luque; Daniel S. Levine 003; Meng Gao; Misko Dzamba; C. Lawrence Zitnick (CoRR, 2025)

UMA: A Family of Universal Models for Atoms. - Brandon M. Wood; Misko Dzamba; Xiang Fu 005; Meng Gao; Muhammed Shuaibi; Luis Barroso-Luque; Kareem Abdelmaqsoud; Vahe Gharakhanyan; John R. Kitchin; Daniel S. Levine 003; Kyle Michel; Anuroop Sriram; et al. (CoRR, 2025)