{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,6,19]],"date-time":"2025-06-19T04:23:32Z","timestamp":1750307012170,"version":"3.41.0"},"publisher-location":"New York, NY, USA","reference-count":45,"publisher":"ACM","license":[{"start":{"date-parts":[[2012,7,16]],"date-time":"2012-07-16T00:00:00Z","timestamp":1342396800000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.acm.org\/publications\/policies\/copyright_policy#Background"}],"funder":[{"DOI":"10.13039\/100000165","name":"Division of Chemistry","doi-asserted-by":"publisher","award":["CHE-0718861"],"award-info":[{"award-number":["CHE-0718861"]}],"id":[{"id":"10.13039\/100000165","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["dl.acm.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2012,7,16]]},"DOI":"10.1145\/2335755.2335821","type":"proceedings-article","created":{"date-parts":[[2012,7,26]],"date-time":"2012-07-26T14:41:14Z","timestamp":1343313674000},"page":"1-7","update-policy":"https:\/\/doi.org\/10.1145\/crossmark-policy","source":"Crossref","is-referenced-by-count":0,"title":["Monte Carlo strategies for first-principles simulations of elemental systems"],"prefix":"10.1145","author":[{"given":"Lev D.","family":"Gelb","sequence":"first","affiliation":[{"name":"University of Texas at Dallas, Richardson, TX"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"320","published-online":{"date-parts":[[2012,7,16]]},"reference":[{"key":"e_1_3_2_1_1_1","volume-title":"Acad. Press.","author":"Frenkel D.","year":"1996","unstructured":"D. Frenkel and B. Smit . Understanding Molecular Simulation . Acad. Press. , San Diego , 1996 . D. Frenkel and B. Smit. Understanding Molecular Simulation. Acad. Press., San Diego, 1996."},{"key":"e_1_3_2_1_2_1","doi-asserted-by":"crossref","first-page":"47","DOI":"10.1093\/oso\/9780195094381.003.0002","volume-title":"Monte Carlo and Molecular Dynamics Simulations in Polymer Science","author":"Sokal A. D.","year":"1995","unstructured":"A. D. Sokal . Monte Carlo methods for the self-avoiding walk . In K. Binder, editor, Monte Carlo and Molecular Dynamics Simulations in Polymer Science , pages 47 -- 124 . Oxford U. Press ., New York, 1995 . A. D. Sokal. Monte Carlo methods for the self-avoiding walk. In K. Binder, editor, Monte Carlo and Molecular Dynamics Simulations in Polymer Science, pages 47--124. Oxford U. Press., New York, 1995."},{"key":"e_1_3_2_1_3_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.58.86"},{"key":"e_1_3_2_1_4_1","doi-asserted-by":"crossref","DOI":"10.1007\/978-0-387-22464-0","volume-title":"Molecular modeling and simulation: an interdisciplinary guide","author":"Schlick T.","year":"2002","unstructured":"T. Schlick . Molecular modeling and simulation: an interdisciplinary guide . Springer-Verlag , New York , 2002 . T. Schlick. Molecular modeling and simulation: an interdisciplinary guide. Springer-Verlag, New York, 2002."},{"key":"e_1_3_2_1_5_1","volume-title":"Essentials of Computational Chemistry: Theories and Models","author":"Cramer C. J.","year":"2002","unstructured":"C. J. Cramer . Essentials of Computational Chemistry: Theories and Models . John Wiley & amp; Sons, Chichester, UK, 2002 . C. J. Cramer. Essentials of Computational Chemistry: Theories and Models. John Wiley & Sons, Chichester, UK, 2002."},{"key":"e_1_3_2_1_6_1","volume-title":"Introduction to Computational Chemistry","author":"Jensen F.","year":"2007","unstructured":"F. Jensen . Introduction to Computational Chemistry . John Wiley & Sons, Ltd ., Chichester, UK, 2 nd edition, 2007 . F. Jensen. Introduction to Computational Chemistry. John Wiley & Sons, Ltd., Chichester, UK, 2nd edition, 2007.","edition":"2"},{"key":"e_1_3_2_1_7_1","doi-asserted-by":"publisher","DOI":"10.1017\/CBO9780511805769"},{"key":"e_1_3_2_1_8_1","doi-asserted-by":"crossref","DOI":"10.1002\/9783527612277","volume-title":"Computational Chemistry of Solid State Materials","author":"Dronskowski R.","year":"2005","unstructured":"R. Dronskowski . Computational Chemistry of Solid State Materials . Wiley-VCH Verlag GmbH & amp; Co., Weinheim, 2005 . R. Dronskowski. Computational Chemistry of Solid State Materials. Wiley-VCH Verlag GmbH & Co., Weinheim, 2005."},{"key":"e_1_3_2_1_9_1","doi-asserted-by":"crossref","DOI":"10.1002\/9780470447710","volume-title":"Density Functional Theory: A Practical Introduction","author":"Sholl D. S.","year":"2009","unstructured":"D. S. Sholl and J. A. Steckel . Density Functional Theory: A Practical Introduction . Wiley , Hoboken, NJ , 2009 . D. S. Sholl and J. A. Steckel. Density Functional Theory: A Practical Introduction. Wiley, Hoboken, NJ, 2009."},{"key":"e_1_3_2_1_10_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.462133"},{"key":"e_1_3_2_1_11_1","doi-asserted-by":"publisher","DOI":"10.1016\/S0009-2614(97)01198-6"},{"key":"e_1_3_2_1_12_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.480282"},{"key":"e_1_3_2_1_13_1","doi-asserted-by":"publisher","DOI":"10.1142\/S0129183199001340"},{"key":"e_1_3_2_1_14_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1308516"},{"key":"e_1_3_2_1_15_1","doi-asserted-by":"publisher","DOI":"10.1021\/ct050302x"},{"key":"e_1_3_2_1_16_1","doi-asserted-by":"publisher","DOI":"10.1080\/01621459.1998.10473765"},{"key":"e_1_3_2_1_17_1","volume-title":"Monte Carlo Strategies in Scientific Computing","author":"Liu J. S.","year":"2001","unstructured":"J. S. Liu . Monte Carlo Strategies in Scientific Computing . Springer , New York , 2001 . J. S. Liu. Monte Carlo Strategies in Scientific Computing. Springer, New York, 2001."},{"key":"e_1_3_2_1_18_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1289534"},{"key":"e_1_3_2_1_19_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1399060"},{"key":"e_1_3_2_1_20_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1622653"},{"key":"e_1_3_2_1_21_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1512645"},{"key":"e_1_3_2_1_22_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1563597"},{"key":"e_1_3_2_1_23_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.2102871"},{"key":"e_1_3_2_1_24_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1925273"},{"key":"e_1_3_2_1_25_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2003.06.006"},{"key":"e_1_3_2_1_26_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2005.10.026"},{"key":"e_1_3_2_1_27_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2005.03.065"},{"key":"e_1_3_2_1_28_1","doi-asserted-by":"publisher","DOI":"10.1039\/c1cp21890e"},{"key":"e_1_3_2_1_29_1","doi-asserted-by":"publisher","DOI":"10.1016\/0370-2693(87)91197-X"},{"key":"e_1_3_2_1_30_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.45.679"},{"key":"e_1_3_2_1_31_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.3499315"},{"key":"e_1_3_2_1_32_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.1699114"},{"key":"e_1_3_2_1_33_1","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.540150805"},{"key":"e_1_3_2_1_34_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp001952u"},{"key":"e_1_3_2_1_35_1","doi-asserted-by":"publisher","DOI":"10.1021\/jp012209k"},{"key":"e_1_3_2_1_36_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.61.2635"},{"key":"e_1_3_2_1_37_1","doi-asserted-by":"publisher","DOI":"10.1063\/1.477798"},{"key":"e_1_3_2_1_38_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2010.04.018"},{"key":"e_1_3_2_1_39_1","unstructured":"G. van Rossum. http:\/\/www.python.org. G. van Rossum. http:\/\/www.python.org."},{"key":"e_1_3_2_1_40_1","unstructured":"http:\/\/pympi.sourceforge.net. http:\/\/pympi.sourceforge.net."},{"key":"e_1_3_2_1_41_1","volume-title":"Numerical Recipes in C","author":"Press W. H.","year":"1988","unstructured":"W. H. Press , S. A. Teukolsky , W. T. Vetterling , and B. P. Flannery . Numerical Recipes in C . Cambridge University Press , Cambridge , 2 edition, 1988 . W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery. Numerical Recipes in C. Cambridge University Press, Cambridge, 2 edition, 1988."},{"key":"e_1_3_2_1_42_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.68.134206"},{"key":"e_1_3_2_1_43_1","doi-asserted-by":"publisher","DOI":"10.1016\/0920-2307(93)90001-U"},{"key":"e_1_3_2_1_44_1","doi-asserted-by":"publisher","DOI":"10.1080\/09500839008206493"},{"key":"e_1_3_2_1_45_1","doi-asserted-by":"publisher","DOI":"10.1080\/09500839108205994"}],"event":{"name":"XSEDE12: 2012 eXtreme Science and Engineering Discovery Environment 2012","acronym":"XSEDE12","location":"Chicago Illinois USA"},"container-title":["Proceedings of the 1st Conference of the Extreme Science and Engineering Discovery Environment: Bridging from the eXtreme to the campus and beyond"],"original-title":[],"link":[{"URL":"https:\/\/dl.acm.org\/doi\/10.1145\/2335755.2335821","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/dl.acm.org\/doi\/pdf\/10.1145\/2335755.2335821","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,6,18]],"date-time":"2025-06-18T08:49:03Z","timestamp":1750236543000},"score":1,"resource":{"primary":{"URL":"https:\/\/dl.acm.org\/doi\/10.1145\/2335755.2335821"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2012,7,16]]},"references-count":45,"alternative-id":["10.1145\/2335755.2335821","10.1145\/2335755"],"URL":"https:\/\/doi.org\/10.1145\/2335755.2335821","relation":{},"subject":[],"published":{"date-parts":[[2012,7,16]]},"assertion":[{"value":"2012-07-16","order":2,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}