{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,10,24]],"date-time":"2026-10-24T00:53:43Z","timestamp":1792803223942,"version":"4.5.0"},"reference-count":109,"publisher":"American Chemical Society (ACS)","issue":"41","license":[{"start":{"date-parts":[[2021,9,17]],"date-time":"2021-09-17T00:00:00Z","timestamp":1631836800000},"content-version":"unspecified","delay-in-days":0,"URL":"https:\/\/creativecommons.org\/licenses\/by-nc-nd\/4.0\/"}],"funder":[{"DOI":"10.13039\/100000078","name":"Division of Materials Research","doi-asserted-by":"publisher","award":["DMR-1552287"],"award-info":[{"award-number":["DMR-1552287"]}],"id":[{"id":"10.13039\/100000078","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000078","name":"Division of Materials Research","doi-asserted-by":"publisher","award":["DMR-1939528"],"award-info":[{"award-number":["DMR-1939528"]}],"id":[{"id":"10.13039\/100000078","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000078","name":"Division of Materials Research","doi-asserted-by":"publisher","award":["DMR-2053195"],"award-info":[{"award-number":["DMR-2053195"]}],"id":[{"id":"10.13039\/100000078","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Phys. Chem. B"],"published-print":{"date-parts":[[2021,10,21]]},"DOI":"10.1021\/acs.jpcb.1c03884","type":"journal-article","created":{"date-parts":[[2021,9,17]],"date-time":"2021-09-17T18:04:04Z","timestamp":1631901844000},"page":"11444-11456","source":"Crossref","is-referenced-by-count":83,"title":["Modeling Liquid Water by Climbing up Jacob\u2019s Ladder in Density Functional Theory Facilitated by Using Deep Neural Network Potentials"],"prefix":"10.1021","volume":"125","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4146-703X","authenticated-orcid":true,"given":"Chunyi","family":"Zhang","sequence":"first","affiliation":[{"name":"Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-9761-5359","authenticated-orcid":true,"given":"Fujie","family":"Tang","sequence":"additional","affiliation":[{"name":"Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Mohan","family":"Chen","sequence":"additional","affiliation":[{"name":"HEDPS, Center for Applied Physics and Technology, College of Engineering, Peking University, Beijing 100871, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jianhang","family":"Xu","sequence":"additional","affiliation":[{"name":"Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-8470-5846","authenticated-orcid":true,"given":"Linfeng","family":"Zhang","sequence":"additional","affiliation":[{"name":"Program in Applied and Computational Mathematics, Princeton University, Princeton, New Jersey 08544, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Diana Y.","family":"Qiu","sequence":"additional","affiliation":[{"name":"Department of Mechanical Engineering and Materials Science, Yale University, New Haven, Connecticut 06520, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"John P.","family":"Perdew","sequence":"additional","affiliation":[{"name":"Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, United States"},{"name":"Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0027-9262","authenticated-orcid":true,"given":"Michael L.","family":"Klein","sequence":"additional","affiliation":[{"name":"Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, United States"},{"name":"Institute for Computational Molecular Science, Temple University, Philadelphia, Pennsylvania 19122, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-6561-8942","authenticated-orcid":true,"given":"Xifan","family":"Wu","sequence":"additional","affiliation":[{"name":"Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, United States"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"316","published-online":{"date-parts":[[2021,9,17]]},"reference":[{"key":"ref1\/cit1","volume-title":"Water: A Matrix of Life","author":"Franks F.","year":"2007"},{"key":"ref2\/cit2","doi-asserted-by":"crossref","DOI":"10.1201\/EBK1439803561","volume-title":"Water and Life: the Unique Properties of H2O","author":"Lynden-Bell R. M.","year":"2010"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1126\/science.1056991"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1038\/s41557-018-0010-2"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1038\/srep28285"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1610541113"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1126\/science.1096205"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1021\/jp030263q"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.101.065502"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1063\/1.4790861"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1063\/1.4893377"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.117.186401"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1063\/1.4944633"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1712499114"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.8b01017"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1038\/379055a0"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.6b00363"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1038\/ncomms9998"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1063\/1.3258646"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1366\/0003702963905385"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1021\/cr040377d"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.9b00512"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.125.156803"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1126\/science.278.5338.658"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.55.2471"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.136.B864"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.140.A1133"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1063\/1.1390175"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.45.566"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.23.5048"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(92)85529-J"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1016\/0009-2614(93)87016-V"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.38.3098"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.77.3865"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.80.890"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/1.3521268"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20078"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1063\/1.3382344"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.102.073005"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.4986284"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.115.036402"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1038\/nchem.2535"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1063\/1.5023611"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevMaterials.5.L012801"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00041"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.23.5048"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1921258117"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1021\/ct2000952"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.99.205123"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jctc.1c00141"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1016653108"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1308560110"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1021\/acs.chemrev.5b00674"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1063\/1.471221"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2013.10.027"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1126\/science.1087251"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.120.143001"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevMaterials.3.023804"},{"key":"ref60\/cit60","unstructured":"Zhang, L.; Han, J.; Wang, H.; Saidi, W.; Car, R.; E, W. In  Advances in Neural Information Processing Systems 31; Bengio, S., Wallach, H., Larochelle, H., Grauman, K., Cesa-Bianchi, N., Garnett, R., Eds. Curran Associates, Inc.: 2018; pp 4436\u20134446."},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1080\/00268976.2019.1652366"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.102.041121"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.56.12847"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1103\/RevModPhys.84.1419"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1063\/1.1626543"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.139.A796"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.34.5390"},{"key":"ref68\/cit68","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2011.12.006"},{"key":"ref69\/cit69","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.102.115155"},{"key":"ref70\/cit70","doi-asserted-by":"publisher","DOI":"10.1088\/1361-648X\/aa8f79"},{"key":"ref71\/cit71","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.43.1494"},{"key":"ref72\/cit72","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.32.8412"},{"key":"ref73\/cit73","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2018.03.016"},{"key":"ref74\/cit74","author":"Kingma D. P.","year":"2017","journal-title":"arXiv:1412.6980"},{"key":"ref75\/cit75","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.103.030603"},{"key":"ref76\/cit76","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.109.100604"},{"key":"ref77\/cit77","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.102.020601"},{"key":"ref78\/cit78","doi-asserted-by":"publisher","DOI":"10.1021\/ct900563s"},{"key":"ref79\/cit79","doi-asserted-by":"publisher","DOI":"10.1006\/jcph.1995.1039"},{"key":"ref80\/cit80","doi-asserted-by":"publisher","DOI":"10.1002\/bbpc.19820860308"},{"key":"ref81\/cit81","doi-asserted-by":"publisher","DOI":"10.1080\/00268976600100571"},{"key":"ref82\/cit82","doi-asserted-by":"publisher","DOI":"10.1063\/1.481541"},{"key":"ref83\/cit83","doi-asserted-by":"publisher","DOI":"10.1021\/j100862a028"},{"key":"ref84\/cit84","doi-asserted-by":"publisher","DOI":"10.1021\/je000236i"},{"key":"ref85\/cit85","doi-asserted-by":"publisher","DOI":"10.1021\/j100624a025"},{"key":"ref86\/cit86","doi-asserted-by":"publisher","DOI":"10.1021\/ja010312h"},{"key":"ref87\/cit87","doi-asserted-by":"publisher","DOI":"10.1063\/5.0012815"},{"key":"ref88\/cit88","doi-asserted-by":"publisher","DOI":"10.1021\/jp030263q"},{"key":"ref89\/cit89","doi-asserted-by":"publisher","DOI":"10.1016\/S0301-0104(97)00213-9"},{"key":"ref90\/cit90","doi-asserted-by":"publisher","DOI":"10.1088\/0953-8984\/24\/28\/284126"},{"key":"ref91\/cit91","doi-asserted-by":"publisher","DOI":"10.1063\/1.4894287"},{"key":"ref92\/cit92","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1815117116"},{"key":"ref93\/cit93","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.102.214113"},{"key":"ref94\/cit94","doi-asserted-by":"publisher","DOI":"10.1038\/s41570-017-0109"},{"key":"ref95\/cit95","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.77.245114"},{"key":"ref96\/cit96","volume-title":"Statistical Mechanics","author":"Mcquarrie D. A.","year":"2000"},{"key":"ref97\/cit97","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.0607138104"},{"key":"ref98\/cit98","doi-asserted-by":"publisher","DOI":"10.1063\/1.4789951"},{"key":"ref99\/cit99","doi-asserted-by":"publisher","DOI":"10.1021\/jp0477147"},{"key":"ref100\/cit100","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.49.1691"},{"key":"ref101\/cit101","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.51.1884"},{"key":"ref102\/cit102","doi-asserted-by":"publisher","DOI":"10.1126\/science.1158722"},{"key":"ref103\/cit103","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.111.087801"},{"key":"ref104\/cit104","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1621352114"},{"key":"ref105\/cit105","doi-asserted-by":"publisher","DOI":"10.1063\/1.4938189"},{"key":"ref106\/cit106","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.98.247401"},{"key":"ref107\/cit107","doi-asserted-by":"publisher","DOI":"10.1038\/293447a0"},{"key":"ref108\/cit108","doi-asserted-by":"publisher","DOI":"10.1080\/00268978300102721"},{"key":"ref109\/cit109","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jpclett.8b02400"}],"container-title":["The Journal of Physical Chemistry B"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.1c03884","content-type":"application\/pdf","content-version":"vor","intended-application":"unspecified"},{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jpcb.1c03884","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,16]],"date-time":"2023-04-16T14:34:43Z","timestamp":1681655683000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jpcb.1c03884"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2021,9,17]]},"references-count":109,"journal-issue":{"issue":"41","published-print":{"date-parts":[[2021,10,21]]}},"alternative-id":["10.1021\/acs.jpcb.1c03884"],"URL":"https:\/\/doi.org\/10.1021\/acs.jpcb.1c03884","relation":{},"ISSN":["1520-6106","1520-5207"],"issn-type":[{"value":"1520-6106","type":"print"},{"value":"1520-5207","type":"electronic"}],"subject":[],"published":{"date-parts":[[2021,9,17]]}}}