{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,28]],"date-time":"2026-09-28T11:50:31Z","timestamp":1790596231638,"version":"4.1.0"},"reference-count":85,"publisher":"American Chemical Society (ACS)","issue":"11","license":[{"start":{"date-parts":[[2023,6,1]],"date-time":"2023-06-01T00:00:00Z","timestamp":1685577600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2023,6,1]],"date-time":"2023-06-01T00:00:00Z","timestamp":1685577600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2023,6,1]],"date-time":"2023-06-01T00:00:00Z","timestamp":1685577600000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100009879","name":"FACE Foundation","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100009879","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100007493","name":"University of Colorado Boulder","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100007493","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000105","name":"Office of Advanced Cyberinfrastructure","doi-asserted-by":"publisher","award":["OAC 1931587"],"award-info":[{"award-number":["OAC 1931587"]}],"id":[{"id":"10.13039\/100000105","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000147","name":"Division of Civil, Mechanical and Manufacturing Innovation","doi-asserted-by":"publisher","award":["CMMI 1940335"],"award-info":[{"award-number":["CMMI 1940335"]}],"id":[{"id":"10.13039\/100000147","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["ACS Nano"],"published-print":{"date-parts":[[2023,6,13]]},"DOI":"10.1021\/acsnano.2c10953","type":"journal-article","created":{"date-parts":[[2023,6,1]],"date-time":"2023-06-01T12:17:35Z","timestamp":1685621855000},"page":"9938-9952","source":"Crossref","is-referenced-by-count":14,"title":["Accurate and Ultrafast Simulation of Molecular Recognition and Assembly on Metal Surfaces in Four Dimensions"],"prefix":"10.1021","volume":"17","author":[{"given":"Cheng","family":"Zhu","sequence":"first","affiliation":[{"name":"Department of Chemical and Biological Engineering, University of Colorado at Boulder, Boulder, Colorado 80309, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Samuel E.","family":"Hoff","sequence":"additional","affiliation":[{"name":"Department of Chemical and Biological Engineering, University of Colorado at Boulder, Boulder, Colorado 80309, United States"},{"name":"Department of Chemistry, Laboratoire ITODYS, Universit\u00e9 Paris Cit\u00e9, CNRS, F-75013 Paris, France"},{"name":"Institut Pasteur, Universit\u00e9 Paris Cit\u00e9, CNRS UMR 3528, F-75015 Paris, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Miryana","family":"H\u00e9madi","sequence":"additional","affiliation":[{"name":"Department of Chemistry, Laboratoire ITODYS, Universit\u00e9 Paris Cit\u00e9, CNRS, F-75013 Paris, France"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-6776-7404","authenticated-orcid":true,"given":"Hendrik","family":"Heinz","sequence":"additional","affiliation":[{"name":"Department of Chemical and Biological Engineering, University of Colorado at Boulder, Boulder, Colorado 80309, United States"},{"name":"Materials Science and Engineering Program, University of Colorado at Boulder, Boulder, Colorado 80309, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2023,6,1]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/nmat4904"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.2284"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1038\/s41929-019-0364-x"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.5b00168"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.9b04772"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1021\/ja900531f"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-018-03137-8"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1126\/sciadv.abb1435"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1021\/jp040159o"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/jp062659i"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1039\/C4CY01733A"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1016\/j.vacuum.2011.07.008"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1039\/C3CS60323G"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1063\/1.434360"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1039\/C9CP03452H"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.93.035118"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/ar500118y"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.80.235407"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.7b00217"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1063\/1.4832980"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1063\/1.3290632"},{"key":"ref22\/cit22","unstructured":"Ruehl, G. M. Energetics of Small Molecules and Molecular Fragments on Model Catalyst Surfaces: Adsorption Calorimetry on Pt(111) and Cu(111). PhD Thesis, University of Washington: Seattle, WA, 2022."},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1063\/1.3544020"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/cr300096b"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1021\/acs.nanolett.5b01205"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00583"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1016\/j.jiec.2015.02.022"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1039\/c3ee23623d"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.2226"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/la100497h"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.nanolett.2c00490"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.80.235407"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1021\/la3038846"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/jp801931d"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1021\/acsnano.7b07684"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2106965119"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1039\/C5CS00890E"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/adfm.201404136"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1021\/nl400022g"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1039\/C5CP04534G"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2016.11.011"},{"key":"ref42\/cit42","volume-title":"CRC Handbook of Chemistry and Physics","year":"2020","edition":"101"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1107\/S0365110X57001826"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1107\/S0365110X49000618"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.18434\/T4D303"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-020-00478-1"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.8b10779"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1021\/ct3011248"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.8b09323"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.9b02373"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acsami.8b07925"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1016\/j.cemconres.2020.106262"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1039\/c3cp00135k"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/cm801287d"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/cm500365c"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/cm0509328"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1021\/jp312815g"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.5b12504"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1016\/j.actamat.2020.01.048"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1016\/j.cemconres.2017.09.003"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/jp0611018"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/jp4061329"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.21165"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1002\/cphc.200400591"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1021\/ja00051a040"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/jp709896w"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.0c01132"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1002\/prot.340040106"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.23354"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1021\/j100389a010"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1007\/s00249-011-0700-9"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20035"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1021\/ja9621760"},{"key":"ref74\/cit74","doi-asserted-by":"publisher","DOI":"10.1021\/ja00086a030"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1021\/ma00107a006"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1021\/jp980939v"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1021\/ja021248m"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1021\/jp048142t"},{"key":"ref79\/cit79","volume-title":"Materials Studio 2019 Program Suite and User Guide","year":"2019"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1021\/jp973084f"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20289"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1016\/0927-0256(96)00008-0"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1088\/0953-8984\/22\/2\/022201"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.83.195131"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1039\/C7NR02813J"}],"container-title":["ACS Nano"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsnano.2c10953","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acsnano.2c10953","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,6,13]],"date-time":"2023-06-13T11:05:00Z","timestamp":1686654300000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acsnano.2c10953"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2023,6,1]]},"references-count":85,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2023,6,13]]}},"alternative-id":["10.1021\/acsnano.2c10953"],"URL":"https:\/\/doi.org\/10.1021\/acsnano.2c10953","relation":{},"ISSN":["1936-0851","1936-086X"],"issn-type":[{"value":"1936-0851","type":"print"},{"value":"1936-086X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2023,6,1]]}}}