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2025	Accelerating Transition State Search and Ligand Screening for Organometallic Catalysis with Reactive Machine Learning Potential Journal of Chemical Theory and Computation Kun Tang, Yujing Zhao, Lei Zhang, Jian Du, Qingwei Meng, Qilei Liu
2025	Generating New Coordination Compounds via Multireference Simulations, Genetic Algorithms, and Machine Learning: The Case of Co(II) and Dy(III) Molecular Magnets JACS Au Lion Frangoulis, Zahra Khatibi, Lorenzo A. Mariano, Alessandro Lunghi