Cross-functional transferability in universal machine learning interatomic potentials. - Xu Huang; Bowen Deng; Peichen Zhong; Aaron D. Kaplan; Kristin A. Persson; Gerbrand Ceder (CoRR, 2025)

System of Agentic AI for the Discovery of Metal-Organic Frameworks. - Théo Jaffrelot Inizan; Sherry Yang 001; Aaron D. Kaplan; Yen-hsu Lin; Jian Yin 030; Saber Mirzaei; Mona Abdelgaid; Ali H. Alawadhi; KwangHwan Cho; Zhiling Zheng; Ekin Dogus Cubuk; Christian Borgs; et al. (CoRR, 2025)

MP-ALOE: An r2SCAN dataset for universal machine learning interatomic potentials. - Matthew C. Kuner; Aaron D. Kaplan; Kristin A. Persson; Mark Asta; Daryl C. Chrzan (CoRR, 2025)