{"655493":{"#nid":"655493","#data":{"type":"event","title":"PhD Defense by Abhiraj Sharma","body":[{"value":"\u003Cp\u003E\u003Cstrong\u003ESchool of Civil and Environmental Engineering\u003C\/strong\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cbr \/\u003E\r\n\u003Cbr \/\u003E\r\n\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cstrong\u003EPh.D. Thesis Defense Announcement\u003C\/strong\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003ESymmetry-adapted Density Functional Theory\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cstrong\u003EBy\u003C\/strong\u003E\u0026nbsp;Abhiraj Sharma\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cstrong\u003EAdvisor:\u003C\/strong\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003EDr. Phanish Suryanarayana\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cstrong\u003ECommittee Members:\u003C\/strong\u003E\u0026nbsp;\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003EDr. Phanish Suryanarayana (CEE), Dr. David Sherrill(CHEM), Dr. Arash Yavari(CEE), Dr. Ting Zhu(MECH), Dr. John E Pask(LLNL)\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u0026nbsp;\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cstrong\u003EDate and Time:\u003C\/strong\u003E\u0026nbsp; March 2, 2022 from 12pm-2 pm\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u003Cstrong\u003ELocation:\u0026nbsp;\u003C\/strong\u003E\u003Cstrong\u003E\u003Ca href=\u0022https:\/\/bluejeans.com\/811970587\/8576?src=calendarLink\u0022\u003Ehttps:\/\/bluejeans.com\/811970587\/8576?src=calendarLink\u003C\/a\u003E \u003C\/strong\u003E\u003C\/p\u003E\r\n\r\n\u003Cp\u003E\u0026nbsp;\u0026nbsp;One-dimensional nanostructures such as nanotubes, nanowires, and nanocoils have received increased attention over the past three decades due to their fascinating mechanical, electronic, optical, and thermal properties. It is common for these systems to possess some form of nontranslational symmetry, with cyclic and helical perhaps the most frequent among the symmorphic and nonsymmorphic groups, respectively. Moreover, the application of torsional deformations on 1D nanostructures and bending deformations on 2D nanostructures results in systems with these symmetries. These systems are computationally intractable for the standard density functional theory (DFT) implementations which are based on affine coordinate systems. \u0026nbsp;In this work, we present a cyclic and helical symmetry-adapted formulation and large-scale parallel implementation of real-space Kohn-Sham density functional theory. We then extend this framework to enable the study of the linear response of these systems with application to the stability of carbon nanotubes.\u003C\/p\u003E\r\n\r\n\u003Cp\u003EComplete announcement, with abstract, is attached.\u0026nbsp;\u003C\/p\u003E\r\n","summary":null,"format":"limited_html"}],"field_subtitle":"","field_summary":"","field_summary_sentence":[{"value":"Symmetry-adapted Density Functional Theory"}],"uid":"27707","created_gmt":"2022-02-15 16:21:42","changed_gmt":"2022-02-15 16:21:42","author":"Tatianna Richardson","boilerplate_text":"","field_publication":"","field_article_url":"","field_event_time":{"event_time_start":"2022-03-02T12:00:00-05:00","event_time_end":"2022-03-02T14:00:00-05:00","event_time_end_last":"2022-03-02T14:00:00-05:00","gmt_time_start":"2022-03-02 17:00:00","gmt_time_end":"2022-03-02 19:00:00","gmt_time_end_last":"2022-03-02 19:00:00","rrule":null,"timezone":"America\/New_York"},"extras":[],"groups":[{"id":"221981","name":"Graduate Studies"}],"categories":[],"keywords":[{"id":"100811","name":"Phd Defense"}],"core_research_areas":[],"news_room_topics":[],"event_categories":[{"id":"1788","name":"Other\/Miscellaneous"}],"invited_audience":[{"id":"78761","name":"Faculty\/Staff"},{"id":"78771","name":"Public"},{"id":"78751","name":"Undergraduate students"}],"affiliations":[],"classification":[],"areas_of_expertise":[],"news_and_recent_appearances":[],"phone":[],"contact":[],"email":[],"slides":[],"orientation":[],"userdata":""}}}