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cond-mat.mtrl-sci2024
Alkaline earth metal mediated inter-molecular magnetism in perfluorocubane dimers and chains
Zhuohang Li, Cong Wang, Linwei Zhou +4
Perfluorocubane () was successfully synthesized and found to accept and store electrons in its internal cubic cavity to form magnetic moments. However their inter-molecule…
cond-mat.mtrl-sci2024★ 13 cited
Overcoming systematic softening in universal machine learning interatomic potentials by fine-tuning
Bowen Deng, Yunyeong Choi, Peichen Zhong +6
Machine learning interatomic potentials (MLIPs) have introduced a new paradigm for atomic simulations. Recent advancements have seen the emergence of universal MLIPs (uMLIPs) that…