{"id":12409,"date":"2012-01-01T00:00:00","date_gmt":"2012-01-01T08:00:00","guid":{"rendered":"https:\/\/www.hmc.edu\/clinic\/2012\/parallelizing-and-enriching-atc-a-finite-element-extension-for-the-lammps-molecular-dynamics-code\/"},"modified":"2012-01-01T00:00:00","modified_gmt":"2012-01-01T08:00:00","slug":"parallelizing-and-enriching-atc-a-finite-element-extension-for-the-lammps-molecular-dynamics-code","status":"publish","type":"post","link":"https:\/\/www.hmc.edu\/clinic\/2012\/parallelizing-and-enriching-atc-a-finite-element-extension-for-the-lammps-molecular-dynamics-code\/","title":{"rendered":"Parallelizing and Enriching AtC, a Finite Element Extension for the LAMMPS Molecular Dynamics Code"},"content":{"rendered":"<h2 class=\"project-sponsor-dept-year\"><span class=\"project-sponsor\">Sandia National Laboratories<\/span> <span class=\"project-dept-year\">Computer Science, 2011-12<\/span><\/h2>\n<div class=\"project-team\">\n<p><strong>Liaison(s):<\/strong> Dr. Jeremy Alan Templeton,  Dr. Reese Jones,  Dr. Jonathan A. Zimmerman<br \/>\n<strong>Advisor(s):<\/strong> Ran Libeskind-Hadas<br \/>\n<strong>Students(s):<\/strong> Sean Laguna (PM),  Fiona Tay,  Aaron Gable,  Tselil Schramm<\/p>\n<\/div>\n<div class=\"project-abstract\">\n<p>The Atomistic-to-Continuum (AtC) package ex-tends a classical molecular dynamics code, pairing atomic-scale simulation with the Finite Element Method (FEM) to model the effects of molecular behavior at a larger scale. Currently, the AtC pack-age supports neither parallel computation nor the desired methodological flexibility. We will profile and optimize AtC, then extend its functionality to include parallelization of computation, more complex element geometries including tetrahedra, and support for higher-order shape functions in the FEM.<\/p>\n<\/div>\n","protected":false},"excerpt":{"rendered":"<p>Sandia National Laboratories Computer Science, 2011-12 Liaison(s): Dr. Jeremy Alan Templeton, Dr. Reese Jones, Dr. Jonathan A. Zimmerman Advisor(s): Ran [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_acf_changed":false,"footnotes":""},"categories":[140],"tags":[181],"class_list":["post-12409","post","type-post","status-publish","format-standard","hentry","category-computer-science","tag-sandia-national-laboratories"],"acf":[],"_links":{"self":[{"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/posts\/12409","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/comments?post=12409"}],"version-history":[{"count":0,"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/posts\/12409\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/media?parent=12409"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/categories?post=12409"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.hmc.edu\/clinic\/wp-json\/wp\/v2\/tags?post=12409"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}