{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2025,12,25]],"date-time":"2025-12-25T09:05:42Z","timestamp":1766653542192,"version":"3.41.0"},"publisher-location":"New York, NY, USA","reference-count":42,"publisher":"ACM","license":[{"start":{"date-parts":[[2013,7,22]],"date-time":"2013-07-22T00:00:00Z","timestamp":1374451200000},"content-version":"vor","delay-in-days":0,"URL":"https:\/\/www.acm.org\/publications\/policies\/copyright_policy#Background"}],"funder":[{"DOI":"10.13039\/100000105","name":"Office of Cyberinfrastructure","doi-asserted-by":"publisher","award":["EAR-1047629, EAR-0810272, OCI-1053575"],"award-info":[{"award-number":["EAR-1047629, EAR-0810272, OCI-1053575"]}],"id":[{"id":"10.13039\/100000105","id-type":"DOI","asserted-by":"publisher"}]},{"DOI":"10.13039\/100000160","name":"Division of Earth Sciences","doi-asserted-by":"publisher","award":["EAR-1047629, EAR-0810272, OCI-1053575"],"award-info":[{"award-number":["EAR-1047629, EAR-0810272, OCI-1053575"]}],"id":[{"id":"10.13039\/100000160","id-type":"DOI","asserted-by":"publisher"}]}],"content-domain":{"domain":["dl.acm.org"],"crossmark-restriction":true},"short-container-title":[],"published-print":{"date-parts":[[2013,7,22]]},"DOI":"10.1145\/2484762.2484823","type":"proceedings-article","created":{"date-parts":[[2013,7,30]],"date-time":"2013-07-30T13:40:50Z","timestamp":1375191650000},"page":"1-8","update-policy":"https:\/\/doi.org\/10.1145\/crossmark-policy","source":"Crossref","is-referenced-by-count":1,"title":["Ab initio elasticity workflow in the VLab science gateway"],"prefix":"10.1145","author":[{"given":"Pedro R. C.","family":"da Silveira","sequence":"first","affiliation":[{"name":"University of Minnesota, Minneapolis, MN"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Lahiru","family":"Gunathilake","sequence":"additional","affiliation":[{"name":"Indiana University, Bloomington, IN"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Alexander","family":"Holiday","sequence":"additional","affiliation":[{"name":"University of Minnesota, Minneapolis, MN"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Dave A.","family":"Yuen","sequence":"additional","affiliation":[{"name":"University of Minnesota, Minneapolis, MN"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"M. N\u00fa\u00f1ez","family":"Valdez","sequence":"additional","affiliation":[{"name":"University of Minnesota, Minneapolis, MN"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Renata M.","family":"Wentzcovitch","sequence":"additional","affiliation":[{"name":"University of Minnesota, Minneapolis, MN"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"320","published-online":{"date-parts":[[2013,7,22]]},"reference":[{"key":"e_1_3_2_1_1_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.cpc.2007.09.001"},{"key":"e_1_3_2_1_2_1","volume-title":"Physics of The Earth and Planetary Interiors, 163, Special Issue 1-4, Computational Challenges in the Earth Sciences","author":"da Silva C. R. S.","year":"2007","unstructured":"C. R. S. da Silva , P. R. C. da Silveira , B. B. Karki , R. M. Wentzcovitch , R. M., P. A. Jensen , E. F. Bollig , M. Pierce , G. Erlebacher , D. A. Yuen , Virtual laboratory for planetary materials: System service architecture overview , Physics of The Earth and Planetary Interiors, 163, Special Issue 1-4, Computational Challenges in the Earth Sciences ( 2007 ). C. R. S. da Silva, P. R. C. da Silveira, B. B. Karki, R. M. Wentzcovitch, R. M., P. A. Jensen, E. F. Bollig, M. Pierce, G. Erlebacher, D. A. Yuen, Virtual laboratory for planetary materials: System service architecture overview, Physics of The Earth and Planetary Interiors, 163, Special Issue 1-4, Computational Challenges in the Earth Sciences (2007)."},{"key":"e_1_3_2_1_3_1","doi-asserted-by":"publisher","DOI":"10.1145\/2016741.2016777"},{"key":"e_1_3_2_1_4_1","doi-asserted-by":"publisher","DOI":"10.1016\/0031-9201(94)03001-Y"},{"key":"e_1_3_2_1_5_1","doi-asserted-by":"publisher","DOI":"10.1029\/2000RG000088"},{"key":"e_1_3_2_1_6_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.286.5445.1705"},{"key":"e_1_3_2_1_7_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.92.018501"},{"key":"e_1_3_2_1_8_1","doi-asserted-by":"publisher","DOI":"10.2138\/rmg.2010.71.5"},{"key":"e_1_3_2_1_9_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.83.184115"},{"key":"e_1_3_2_1_10_1","doi-asserted-by":"publisher","DOI":"10.1088\/0953-8984\/21\/39\/395502"},{"key":"e_1_3_2_1_11_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.136.B864"},{"key":"e_1_3_2_1_12_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRev.140.A1133"},{"key":"e_1_3_2_1_13_1","article-title":"Momentum space formalism for the total energy of solids","volume":"12","author":"Ihm J.","unstructured":"J. Ihm , A. Zunger , and M. L. Cohen , Momentum space formalism for the total energy of solids \", J. Phys. C: Sol Stat. Phys. , 12 , 4409 (1979) J. Ihm, A. Zunger, and M. L. Cohen, Momentum space formalism for the total energy of solids\", J. Phys. C: Sol Stat. Phys., 12, 4409 (1979)","journal-title":"J. Phys. C: Sol Stat. Phys."},{"key":"e_1_3_2_1_14_1","unstructured":"M. J. P. Musgrave \"Crystal Acoustics\" Holden Day San Francisco Calif. (1970).  M. J. P. Musgrave \"Crystal Acoustics\" Holden Day San Francisco Calif. (1970)."},{"key":"e_1_3_2_1_15_1","unstructured":"R. J. D. Tilley \"Crystal and Crystal Structures\" John Wiley & Sons Ltd (2006).  R. J. D. Tilley \"Crystal and Crystal Structures\" John Wiley & Sons Ltd (2006)."},{"key":"e_1_3_2_1_16_1","doi-asserted-by":"crossref","unstructured":"D. C. Wallace \"Thermodynamics of Crystals\" John Wiley New York (1972).  D. C. Wallace \"Thermodynamics of Crystals\" John Wiley New York (1972).","DOI":"10.1119\/1.1987046"},{"key":"e_1_3_2_1_17_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.45.566"},{"key":"e_1_3_2_1_18_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.46.6671"},{"key":"e_1_3_2_1_19_1","doi-asserted-by":"publisher","DOI":"10.2138\/rmg.2010.71.4"},{"key":"e_1_3_2_1_20_1","article-title":"Efficient pseudopotentials for plane-wave calculations","volume":"43","author":"Troullier N.","year":"1993","unstructured":"N. Troullier and J. L. Martins , \" Efficient pseudopotentials for plane-wave calculations \", Phys. Rev. B , 43 , 1993 (1991). N. Troullier and J. L. Martins, \"Efficient pseudopotentials for plane-wave calculations\", Phys. Rev. B, 43, 1993 (1991).","journal-title":"Phys. Rev. B"},{"key":"e_1_3_2_1_21_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.41.1227"},{"key":"e_1_3_2_1_22_1","article-title":"Soft self-consistent pseudopotentials in a generalized eigenvalue formalism","volume":"41","author":"Vanderbilt D.","unstructured":"D. Vanderbilt , \" Soft self-consistent pseudopotentials in a generalized eigenvalue formalism \", Phys. Rev. B , 41 , 7892 (1990) D. Vanderbilt, \"Soft self-consistent pseudopotentials in a generalized eigenvalue formalism\", Phys. Rev. B, 41, 7892 (1990)","journal-title":"Phys. Rev. B"},{"key":"e_1_3_2_1_23_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.pepi.2010.12.001"},{"key":"e_1_3_2_1_24_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.44.2358"},{"key":"e_1_3_2_1_25_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.70.3947"},{"key":"e_1_3_2_1_26_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.32.3780"},{"key":"e_1_3_2_1_27_1","doi-asserted-by":"publisher","DOI":"10.2138\/rmg.2010.71.4"},{"key":"e_1_3_2_1_28_1","unstructured":"GridSphere http:\/\/www.gridsphere.org\/  GridSphere http:\/\/www.gridsphere.org\/"},{"key":"e_1_3_2_1_29_1","unstructured":"Apache Axis 2 http:\/\/axis.apache.org\/axis2\/java\/core\/  Apache Axis 2 http:\/\/axis.apache.org\/axis2\/java\/core\/"},{"key":"e_1_3_2_1_30_1","unstructured":"Hibernate http:\/\/www.hibernate.org\/  Hibernate http:\/\/www.hibernate.org\/"},{"key":"e_1_3_2_1_31_1","unstructured":"Postgresql http:\/\/www.postgresql.org\/  Postgresql http:\/\/www.postgresql.org\/"},{"key":"e_1_3_2_1_32_1","volume-title":"unpublished","author":"da Silveira P. R.","year":"2013","unstructured":"P. R. da Silveira , unpublished ( 2013 ). P. R. da Silveira et al., unpublished (2013)."},{"key":"e_1_3_2_1_33_1","doi-asserted-by":"publisher","DOI":"10.1145\/2110486.2110490"},{"key":"e_1_3_2_1_34_1","unstructured":"XSEDE http:\/\/www.xsede.org  XSEDE http:\/\/www.xsede.org"},{"key":"e_1_3_2_1_35_1","volume-title":"chap. 4","author":"Poirier J.-P.","year":"2000","unstructured":"J.-P. Poirier , \" Introduction to the Physics of the Earth's Interior\" , chap. 4 , 2 nd Ed., Cambridge Press ( 2000 ). J.-P. Poirier, \"Introduction to the Physics of the Earth's Interior\", chap. 4, 2nd Ed., Cambridge Press (2000).","edition":"2"},{"key":"e_1_3_2_1_36_1","unstructured":"VLab Resources http:\/\/www.vlab.msi.umn.edu\/resources\/  VLab Resources http:\/\/www.vlab.msi.umn.edu\/resources\/"},{"key":"e_1_3_2_1_37_1","unstructured":"Gnuplot http:\/\/www.gnuplot.info\/  Gnuplot http:\/\/www.gnuplot.info\/"},{"key":"e_1_3_2_1_38_1","unstructured":"N\u00fa\u00f1ez Valdez M. K. Umemoto and R. M. Wentzcovitch \"Elasticity of Diamond at High Pressures and Temperatures\". Submitted to Applied Physics Letters (2012) Preprint: http:\/\/arxiv.org\/abs\/1205.4227  N\u00fa\u00f1ez Valdez M. K. Umemoto and R. M. Wentzcovitch \"Elasticity of Diamond at High Pressures and Temperatures\". Submitted to Applied Physics Letters (2012) Preprint: http:\/\/arxiv.org\/abs\/1205.4227"},{"key":"e_1_3_2_1_39_1","doi-asserted-by":"publisher","DOI":"10.1007\/978-3-540-28642-4_2"},{"key":"e_1_3_2_1_40_1","doi-asserted-by":"publisher","DOI":"10.5555\/998688.1007097"},{"key":"e_1_3_2_1_41_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.parco.2011.05.005"},{"key":"e_1_3_2_1_42_1","doi-asserted-by":"crossref","unstructured":"Nielsen OH; Martin RM \"Quantum-Mechanical Theory of Stress and Force\" PHYSICAL REVIEW B Volume: 32 Issue:  6 Pages: 3780--3791 DOI: 10.1103\/PhysRevB.32.3780 Published: 1985    10.1103\/PhysRevB.32.3780\nNielsen OH; Martin RM \"Quantum-Mechanical Theory of Stress and Force\" PHYSICAL REVIEW B Volume: 32 Issue: 6 Pages: 3780--3791 DOI: 10.1103\/PhysRevB.32.3780 Published: 1985","DOI":"10.1103\/PhysRevB.32.3780"}],"event":{"name":"XSEDE '13: Extreme Science and Engineering Discovery Environment: Gateway to Discovery","acronym":"XSEDE '13","location":"San Diego California USA"},"container-title":["Proceedings of the Conference on Extreme Science and Engineering Discovery Environment: Gateway to Discovery"],"original-title":[],"link":[{"URL":"https:\/\/dl.acm.org\/doi\/10.1145\/2484762.2484823","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/dl.acm.org\/doi\/pdf\/10.1145\/2484762.2484823","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2025,6,18]],"date-time":"2025-06-18T08:35:52Z","timestamp":1750235752000},"score":1,"resource":{"primary":{"URL":"https:\/\/dl.acm.org\/doi\/10.1145\/2484762.2484823"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2013,7,22]]},"references-count":42,"alternative-id":["10.1145\/2484762.2484823","10.1145\/2484762"],"URL":"https:\/\/doi.org\/10.1145\/2484762.2484823","relation":{},"subject":[],"published":{"date-parts":[[2013,7,22]]},"assertion":[{"value":"2013-07-22","order":2,"name":"published","label":"Published","group":{"name":"publication_history","label":"Publication History"}}]}}