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Here, we introduce a polarizable split-charge equilibration (PSQ) framework that combines localized charge flow with dipolar polarization, thereby mitigating the unphysical long-range charge delocalization associated with polarizable charge-equilibration models. To enable practical large-scale simulations, we develop an efficient PSQ implementation through algorithmic optimization and parallelization, achieving performance comparable to conventional approaches despite the model\u2019s greater formal complexity. We combine PSQ with the universal nonbond potential for van der Waals interactions and an explicit four-body hydrogen-bond term to form the PUxH framework. PUxH achieves near-chemical accuracy in predicting small-molecular pair interactions and accurately reproduces the bulk properties of water, ammonia, and benzene. Overall, PUxH provides a transferable, physically grounded, and computationally efficient framework for modeling nonbonded interactions in molecular and condensed-phase systems.<\/jats:p>","DOI":"10.1021\/acs.jpca.6c03021","type":"journal-article","created":{"date-parts":[[2026,9,4]],"date-time":"2026-09-04T04:24:49Z","timestamp":1788495889000},"page":"7504-7516","source":"Crossref","is-referenced-by-count":0,"title":["Polarizable Split-Charge\nEquilibration for Accurate\nModeling of Nonbonded Interactions"],"prefix":"10.1021","volume":"130","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-9076-7202","authenticated-orcid":true,"given":"Taehwan","family":"Jang","sequence":"first","affiliation":[{"name":"California Institute of Technology , , , ,","place":["Pasadena, California, United States, 91125"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3960-8908","authenticated-orcid":true,"given":"Minho M.","family":"Kim","sequence":"additional","affiliation":[{"name":"Korea Advanced Institute of Science and Technology (KAIST) , , Yuseong-gu , ,","place":["Daejeon, Republic of Korea, 34141"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9302-2759","authenticated-orcid":true,"given":"Hoon","family":"Ryu","sequence":"additional","affiliation":[{"name":"Kumoh National Institute of Technology , , ,","place":["Gumi, Republic of Korea, 39177"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-0097-5716","authenticated-orcid":true,"suffix":"III","given":"William A.","family":"Goddard","sequence":"additional","affiliation":[{"name":"California Institute of Technology , , , ,","place":["Pasadena, California, United States, 91125"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-8261-9381","authenticated-orcid":true,"given":"Hyungjun","family":"Kim","sequence":"additional","affiliation":[{"name":"Korea Advanced Institute of Science and Technology (KAIST) , , Yuseong-gu , ,","place":["Daejeon, Republic of Korea, 34141"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,9,3]]},"reference":[{"issue":"7059","key":"2026091708521817700_cit1","doi-asserted-by":"publisher","first-page":"640","DOI":"10.1038\/nature04162","article-title":"Interfaces\nand the Driving Force of Hydrophobic Assembly","volume":"437","author":"Chandler","year":"2005","journal-title":"Nature"},{"key":"2026091708521817700_cit2","article-title":"Intermolecular and Surface Forces","author":"Israelachvili","year":"2011","edition":"3"},{"key":"2026091708521817700_cit3","volume-title":"The Theory of Intermolecular\nForces, repr. with Corrections","author":"Stone","year":"2002"},{"key":"2026091708521817700_cit4","volume-title":"Foundations of Colloid\nScience","author":"Hunter","year":"2009","edition":"2"},{"issue":"15","key":"2026091708521817700_cit5","doi-asserted-by":"publisher","DOI":"10.1063\/1.5113811","article-title":"Accurate Non-Bonded Potentials Based\non Periodic Quantum Mechanics Calculations for Use in Molecular Simulations\nof Materials and Systems","volume":"151","author":"Naserifar","year":"2019","journal-title":"J. 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