{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,6,9]],"date-time":"2026-06-09T08:59:22Z","timestamp":1780995562429,"version":"3.54.1"},"reference-count":66,"publisher":"American Chemical Society (ACS)","issue":"11","license":[{"start":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T00:00:00Z","timestamp":1780272000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-029"},{"start":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T00:00:00Z","timestamp":1780272000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-037"},{"start":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T00:00:00Z","timestamp":1780272000000},"content-version":"stm-asf","delay-in-days":0,"URL":"https:\/\/doi.org\/10.15223\/policy-045"}],"funder":[{"DOI":"10.13039\/100019180","name":"HORIZON EUROPE European Research Council","doi-asserted-by":"publisher","award":["101077129"],"award-info":[{"award-number":["101077129"]}],"id":[{"id":"10.13039\/100019180","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Theory Comput."],"published-print":{"date-parts":[[2026,6,9]]},"DOI":"10.1021\/acs.jctc.6c00421","type":"journal-article","created":{"date-parts":[[2026,6,1]],"date-time":"2026-06-01T07:22:36Z","timestamp":1780298556000},"page":"5752-5760","source":"Crossref","is-referenced-by-count":0,"title":["Packed by the Surface: Relating Surface Structure and Solvation Properties at Solid\/Water Interfaces"],"prefix":"10.1021","volume":"22","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-1246-0819","authenticated-orcid":true,"given":"Mohammed","family":"Bin Jassar","sequence":"first","affiliation":[{"name":"Laboratoire CPCV, D\u00e9partement de Chimie, \u00c9cole Normale Sup\u00e9rieure","place":["Paris, France"]},{"name":"PSL University, Sorbonne University, CNRS","place":["Paris, France"]}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2023-3648","authenticated-orcid":true,"given":"Simone","family":"Pezzotti","sequence":"additional","affiliation":[{"name":"Laboratoire CPCV, D\u00e9partement de Chimie, \u00c9cole Normale Sup\u00e9rieure","place":["Paris, France"]},{"name":"PSL University, Sorbonne University, CNRS","place":["Paris, France"]}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2026,6,1]]},"reference":[{"key":"ref1\/cit1","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-021-00293-2"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1126\/science.264.5160.826"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.2c00130"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/s41557-024-01593-y"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1819000116"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1038\/s41557-021-00805-z"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.2c03300"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1126\/science.ads4369"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0708088105"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c07506"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1038\/s41929-020-0482-5"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.3c13633"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.0c03766"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2407877121"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1146\/annurev-conmatphys-040220-045516"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0902778106"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/jp909048f"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1038\/nature04162"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1301596110"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2023867118"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.4c04922"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1039\/D5SC03005F"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.8b00705"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1021\/acscatal.1c00272"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1126\/science.1209786"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/5.0069498"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.4c02804"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1039\/B805544K"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2108568118"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1002\/anie.202112679"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.9b02985"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2108568118"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-025-00712-8"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.6c01484"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.2200018119"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1063\/5.0200900"},{"key":"ref37\/cit37","first-page":"2825","volume":"12","author":"Pedregosa F.","year":"2011","journal-title":"J. Mach. Learn. Res."},{"key":"ref38\/cit38","doi-asserted-by":"crossref","DOI":"10.1007\/978-0-387-84858-7","volume-title":"The Elements of Statistical Learning: Data Mining, Inference, and Prediction","author":"Hastie T.","year":"2009","edition":"2"},{"key":"ref39\/cit39","volume-title":"Deep Learning","volume":"1","author":"Goodfellow I.","year":"2016"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.5c11586"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1107\/S0909049510014858"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1107\/S1600576724000657"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1021\/la061943y"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1063\/1.4869868"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1088\/0953-8984\/27\/19\/194111"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1093\/pnasnexus\/pgad239"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1063\/1.4819243"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.87.196101"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1063\/5.0167406"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcis.2022.07.164"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(00)01064-2"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevE.94.023110"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1063\/5.0186925"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/jp801931d"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.2c00130"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.9b13273"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1002\/adma.200801489"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1039\/C7CP06110B"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpca.6b11168"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpcc.5b08137"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1021\/ar2000088"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1301596110"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/jp509903n"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.2c01256"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1038\/s41929-022-00846-8"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1021\/jacs.4c10661"}],"container-title":["Journal of Chemical Theory and Computation"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.6c00421","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.6c00421","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2026,6,9]],"date-time":"2026-06-09T08:11:26Z","timestamp":1780992686000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.6c00421"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2026,6,1]]},"references-count":66,"journal-issue":{"issue":"11","published-print":{"date-parts":[[2026,6,9]]}},"alternative-id":["10.1021\/acs.jctc.6c00421"],"URL":"https:\/\/doi.org\/10.1021\/acs.jctc.6c00421","relation":{},"ISSN":["1549-9618","1549-9626"],"issn-type":[{"value":"1549-9618","type":"print"},{"value":"1549-9626","type":"electronic"}],"subject":[],"published":{"date-parts":[[2026,6,1]]}}}