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Specifically, we are interested in the motion of atoms from different molecules that at some point of the motion form\n                    <jats:italic toggle=\"yes\">Hydrogen Bonds<\/jats:italic>\n                    (HB) and that HB persists over time. While a traditional continuous spatial proximity is an important criterion, the semantic aspect of\n                    <jats:italic toggle=\"yes\">which atoms from which molecules<\/jats:italic>\n                    are co-moving, and whether they are also within certain spatial bounds is just as important. It may be tempting to use existing formalisms such as flocks, convoys, swarms, and so on\u2014however, there are notable differences due to the semantics of the chemistry of HB formation: (1) There are additional constraints within clusters; and (2) From the perspective of the chemical interactions, it is permissible that an HB within a cluster is\n                    <jats:italic toggle=\"yes\">disrupted<\/jats:italic>\n                    for a brief period (i.e., the persistency of the bond can be relaxed), for as long as it is\n                    <jats:italic toggle=\"yes\">re-established<\/jats:italic>\n                    again soon. To enable the detection of such phenomena in datasets of atomic trajectories, we introduce the notion of\n                    <jats:italic toggle=\"yes\">Bond-Aware Relaxed Moving Clusters<\/jats:italic>\n                    (BARMC) pattern\u2014a novel type of spatio-temporal moving cluster pertaining to molecular dynamics. We provide an algorithm for the efficient detection of BARMC patterns along with experimental evaluation demonstrating its benefits over the Na\u00efve approach based on traditional convoys.\n                  <\/jats:p>","DOI":"10.1145\/3804446","type":"journal-article","created":{"date-parts":[[2026,3,24]],"date-time":"2026-03-24T19:17:38Z","timestamp":1774379858000},"page":"1-27","update-policy":"https:\/\/doi.org\/10.1145\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["Bond-Aware Moving Clusters of Atomic Trajectories with Relaxed Persistency"],"prefix":"10.1145","volume":"12","author":[{"ORCID":"https:\/\/orcid.org\/0000-0001-5312-2595","authenticated-orcid":false,"given":"Abdullah","family":"Shamail","sequence":"first","affiliation":[{"name":"Iowa State University","place":["Ames, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7697-474X","authenticated-orcid":false,"given":"Md Hasan","family":"Anowar","sequence":"additional","affiliation":[{"name":"Iowa State University","place":["Ames, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8839-6278","authenticated-orcid":false,"given":"Goce","family":"Trajcevski","sequence":"additional","affiliation":[{"name":"Iowa State University","place":["Ames, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6504-8502","authenticated-orcid":false,"given":"Ashfaq","family":"Khokhar","sequence":"additional","affiliation":[{"name":"Iowa State University","place":["Ames, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-1486-0680","authenticated-orcid":false,"given":"Sohail","family":"Murad","sequence":"additional","affiliation":[{"name":"Illinois Institute of Technology","place":["Chicago, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-5909-0643","authenticated-orcid":false,"given":"Cynthia","family":"Jameson","sequence":"additional","affiliation":[{"name":"University of Illinois Chicago","place":["Chicago, United States"]}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"320","published-online":{"date-parts":[[2026,4,25]]},"reference":[{"key":"e_1_3_1_2_2","doi-asserted-by":"crossref","DOI":"10.1093\/oso\/9780198803195.001.0001","volume-title":"Computer Simulation of Liquids","author":"Allen M.P.","year":"2017","unstructured":"M.P. 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