TY - RPRT TI - Elucidating ion capture and transport mechanisms of Preyssler anions in aqueous solutions using biased MACE-accelerated MD simulations AU - Adewuyi, Quadri O. [University of Missouri–Kansas City, MO (United States)] (ORCID:0009000133562128) AU - Akter, Suchona [University of Missouri–Kansas City, MO (United States)] (ORCID:0009000735228629) AU - Faruque, Md Omar [University of Missouri–Kansas City, MO (United States)] (ORCID:0000000220739289) AU - Limbu, Dil K. [New Jersey Institute of Technology (NJIT), Newark, NJ (United States)] (ORCID:0000000191969498) AU - Peng, Zhonghua [University of Missouri–Kansas City, MO (United States)] (ORCID:0000000255977324) AU - Thallapally, Praveen K. [Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)] (ORCID:0000000178144467) AU - Momeni, Mohammad Reza [University of Missouri–Kansas City, MO (United States)] (ORCID:0000000277315823) PY - 2025 DO - 10.1063/5.0279071 UR - https://www.osti.gov/biblio/2575636 ID - 2575636 ER -