{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,2,5]],"date-time":"2026-02-05T21:33:13Z","timestamp":1770327193738,"version":"3.49.0"},"reference-count":67,"publisher":"American Chemical Society (ACS)","issue":"4","funder":[{"DOI":"10.13039\/100004364","name":"BP","doi-asserted-by":"publisher","id":[{"id":"10.13039\/100004364","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J. Chem. Theory Comput."],"published-print":{"date-parts":[[2017,4,11]]},"DOI":"10.1021\/acs.jctc.6b00859","type":"journal-article","created":{"date-parts":[[2017,2,14]],"date-time":"2017-02-14T17:48:22Z","timestamp":1487094502000},"page":"1525-1538","source":"Crossref","is-referenced-by-count":75,"title":["Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions"],"prefix":"10.1021","volume":"13","author":[{"ORCID":"https:\/\/orcid.org\/0000-0003-4058-9756","authenticated-orcid":true,"given":"Eric C.","family":"Dybeck","sequence":"first","affiliation":[{"name":"Department\rof Chemical Engineering, University of Virginia, Charlottesville, Virginia 22903, United States"}]},{"given":"Craig P.","family":"Plaisance","sequence":"additional","affiliation":[{"name":"Department\rof Chemical Engineering, University of Virginia, Charlottesville, Virginia 22903, United States"}]},{"given":"Matthew","family":"Neurock","sequence":"additional","affiliation":[{"name":"Department\rof Chemical Engineering, University of Virginia, Charlottesville, Virginia 22903, United States"},{"name":"Department\rof Chemical Engineering and Materials Science, University of Minnesota, Minneapolis, Minnesota 55455, United States"}]}],"member":"316","published-online":{"date-parts":[[2017,3,28]]},"reference":[{"key":"ref1\/cit1","volume-title":"Computer Simulation of Liquids","author":"Allen M. P.","year":"1987"},{"key":"ref2\/cit2","doi-asserted-by":"publisher","DOI":"10.1080\/01442350050020879"},{"key":"ref3\/cit3","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2509(98)00489-8"},{"key":"ref4\/cit4","doi-asserted-by":"publisher","DOI":"10.1016\/S0039-6028(00)00598-7"},{"key":"ref5\/cit5","doi-asserted-by":"publisher","DOI":"10.1006\/jcat.2000.3018"},{"key":"ref6\/cit6","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.73.045433"},{"key":"ref7\/cit7","doi-asserted-by":"publisher","DOI":"10.1021\/jp2071869"},{"key":"ref8\/cit8","doi-asserted-by":"publisher","DOI":"10.1126\/science.208.4442.355"},{"key":"ref9\/cit9","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.45.12122"},{"key":"ref10\/cit10","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcrysgro.2003.11.108"},{"key":"ref11\/cit11","doi-asserted-by":"publisher","DOI":"10.1016\/0010-4655(94)00155-U"},{"key":"ref12\/cit12","doi-asserted-by":"publisher","DOI":"10.1063\/1.477230"},{"key":"ref13\/cit13","doi-asserted-by":"publisher","DOI":"10.1021\/jp0139890"},{"key":"ref14\/cit14","doi-asserted-by":"publisher","DOI":"10.1063\/1.467192"},{"key":"ref15\/cit15","doi-asserted-by":"publisher","DOI":"10.1016\/j.compchemeng.2004.09.016"},{"key":"ref16\/cit16","doi-asserted-by":"publisher","DOI":"10.1039\/c1cy00118c"},{"key":"ref17\/cit17","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcp.2005.06.004"},{"key":"ref18\/cit18","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevE.65.036704"},{"key":"ref19\/cit19","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcp.2007.10.021"},{"key":"ref20\/cit20","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevE.58.2598"},{"key":"ref21\/cit21","doi-asserted-by":"publisher","DOI":"10.1007\/s10820-006-9042-9"},{"key":"ref22\/cit22","doi-asserted-by":"publisher","DOI":"10.1016\/0039-6028(91)90480-G"},{"key":"ref23\/cit23","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcp.2004.12.014"},{"key":"ref24\/cit24","doi-asserted-by":"publisher","DOI":"10.1063\/1.1378322"},{"key":"ref25\/cit25","doi-asserted-by":"publisher","DOI":"10.1063\/1.1627296"},{"key":"ref26\/cit26","doi-asserted-by":"publisher","DOI":"10.1063\/1.2771548"},{"key":"ref27\/cit27","doi-asserted-by":"publisher","DOI":"10.1063\/1.481811"},{"key":"ref28\/cit28","doi-asserted-by":"publisher","DOI":"10.1021\/jp0128832"},{"key":"ref29\/cit29","doi-asserted-by":"publisher","DOI":"10.1063\/1.1505860"},{"key":"ref30\/cit30","doi-asserted-by":"publisher","DOI":"10.1021\/ma9614858"},{"key":"ref31\/cit31","doi-asserted-by":"publisher","DOI":"10.1063\/1.1545446"},{"key":"ref32\/cit32","doi-asserted-by":"publisher","DOI":"10.1063\/1.2046628"},{"key":"ref33\/cit33","doi-asserted-by":"publisher","DOI":"10.1063\/1.2109987"},{"key":"ref34\/cit34","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcp.2006.06.019"},{"key":"ref35\/cit35","doi-asserted-by":"publisher","DOI":"10.1063\/1.1824902"},{"key":"ref36\/cit36","doi-asserted-by":"publisher","DOI":"10.1063\/1.2131050"},{"key":"ref37\/cit37","doi-asserted-by":"publisher","DOI":"10.1063\/1.1811601"},{"key":"ref38\/cit38","doi-asserted-by":"publisher","DOI":"10.1063\/1.3005225"},{"key":"ref39\/cit39","doi-asserted-by":"publisher","DOI":"10.1063\/1.1889434"},{"key":"ref40\/cit40","doi-asserted-by":"publisher","DOI":"10.1186\/1471-2105-8-175"},{"key":"ref41\/cit41","doi-asserted-by":"publisher","DOI":"10.1063\/1.3409606"},{"key":"ref42\/cit42","doi-asserted-by":"publisher","DOI":"10.1016\/0378-4371(92)90283-V"},{"key":"ref43\/cit43","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(76)90041-3"},{"key":"ref44\/cit44","doi-asserted-by":"publisher","DOI":"10.1021\/j100540a008"},{"key":"ref45\/cit45","doi-asserted-by":"publisher","DOI":"10.1016\/0021-9991(75)90060-1"},{"key":"ref46\/cit46","doi-asserted-by":"publisher","DOI":"10.1002\/wsbm.1245"},{"key":"ref47\/cit47","doi-asserted-by":"publisher","DOI":"10.1038\/nmeth.1546"},{"key":"ref48\/cit48","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2509(02)00314-7"},{"key":"ref49\/cit49","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcat.2004.02.032"},{"key":"ref50\/cit50","doi-asserted-by":"publisher","DOI":"10.1016\/S0378-7753(01)00836-9"},{"key":"ref51\/cit51","doi-asserted-by":"publisher","DOI":"10.1006\/jcat.1999.2523"},{"key":"ref52\/cit52","doi-asserted-by":"publisher","DOI":"10.1063\/1.3553258"},{"key":"ref53\/cit53","doi-asserted-by":"publisher","DOI":"10.1016\/S0360-0564(08)60579-9"},{"key":"ref54\/cit54","doi-asserted-by":"publisher","DOI":"10.1016\/S0926-860X(97)00186-5"},{"key":"ref55\/cit55","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcat.2010.04.012"},{"key":"ref56\/cit56","doi-asserted-by":"publisher","DOI":"10.1016\/j.cattod.2011.04.006"},{"key":"ref57\/cit57","doi-asserted-by":"publisher","DOI":"10.1016\/S0926-860X(99)00160-X"},{"key":"ref58\/cit58","doi-asserted-by":"publisher","DOI":"10.1016\/S0920-5861(01)00453-9"},{"key":"ref59\/cit59","doi-asserted-by":"publisher","DOI":"10.1021\/ja311848e"},{"key":"ref60\/cit60","doi-asserted-by":"publisher","DOI":"10.1002\/ange.201304610"},{"key":"ref61\/cit61","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcat.2016.01.010"},{"key":"ref62\/cit62","doi-asserted-by":"publisher","DOI":"10.1021\/j100288a033"},{"key":"ref63\/cit63","doi-asserted-by":"publisher","DOI":"10.1021\/ja00539a053"},{"key":"ref64\/cit64","doi-asserted-by":"publisher","DOI":"10.1021\/ja00395a081"},{"key":"ref65\/cit65","doi-asserted-by":"publisher","DOI":"10.1021\/ja3068484"},{"key":"ref66\/cit66","doi-asserted-by":"publisher","DOI":"10.1016\/j.jcat.2011.09.008"},{"key":"ref67\/cit67","doi-asserted-by":"publisher","DOI":"10.1021\/ja901006x"}],"container-title":["Journal of Chemical Theory and Computation"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/pubs.acs.org\/doi\/pdf\/10.1021\/acs.jctc.6b00859","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,4,16]],"date-time":"2023-04-16T15:09:58Z","timestamp":1681657798000},"score":1,"resource":{"primary":{"URL":"https:\/\/pubs.acs.org\/doi\/10.1021\/acs.jctc.6b00859"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2017,3,28]]},"references-count":67,"journal-issue":{"issue":"4","published-print":{"date-parts":[[2017,4,11]]}},"alternative-id":["10.1021\/acs.jctc.6b00859"],"URL":"https:\/\/doi.org\/10.1021\/acs.jctc.6b00859","relation":{},"ISSN":["1549-9618","1549-9626"],"issn-type":[{"value":"1549-9618","type":"print"},{"value":"1549-9626","type":"electronic"}],"subject":[],"published":{"date-parts":[[2017,3,28]]}}}