{"89651":{"#nid":"89651","#data":{"type":"event","title":"(11-0411) Prof. Enrico Clementi, University of Insubria, Italy","body":[{"value":"\u003Cp\u003EProf. Enrico Clementi, University of Insubria, Italy\n\u003C\/p\u003E\n\u003Cp\u003EWith computers from atoms to macromolecular systems\n\u003C\/p\u003E\n\u003Cp\u003EPhysical Chemistry Seminar Series\n\u003C\/p\u003E\n\u003Cp\u003EThe seminar deals with methodology via computer simulations, starting with quantum chemistry. The Hartree-Fock and the Heitler- London methods are shown not to be the best starting point for more accurate computations; the recent  Hartree-Fock-Heitler-London method appears to be a reliable ab-initio approach requiring relatively short expansion. Then we proceed with Molecular Dynamics, Langevin  and Micro-dynamics.\n\u003C\/p\u003E\n\u003Cp\u003EFor more information contact \u003Ca href=\u0022mailto:melsayed@gatech.edu\u0022\u003EProf. Mostafa El-Sayed\u003C\/a\u003E (404-894-0292).\u003C\/p\u003E","summary":null,"format":"limited_html"}],"field_subtitle":"","field_summary":[{"value":"Prof. Enrico Clementi, University of Insubria, Italy\n\nWith computers from atoms to macromolecular systems\n\nPhysical Chemistry Seminar Series","format":"limited_html"}],"field_summary_sentence":[{"value":"Prof. Enrico Clementi, University of Insubria, Italy"}],"uid":"27275","created_gmt":"2011-03-10 01:00:00","changed_gmt":"2016-10-08 01:50:45","author":"Shirley Tomes","boilerplate_text":"","field_publication":"","field_article_url":"","field_event_time":{"event_time_start":"2011-04-11T12:00:00-04:00","event_time_end":"2011-04-11T13:00:00-04:00","event_time_end_last":"2011-04-11T13:00:00-04:00","gmt_time_start":"2011-04-11 16:00:00","gmt_time_end":"2011-04-11 17:00:00","gmt_time_end_last":"2011-04-11 17:00:00","rrule":null,"timezone":"America\/New_York"},"extras":[],"groups":[{"id":"85951","name":"School of Chemistry and Biochemistry"}],"categories":[],"keywords":[{"id":"89","name":"chemistry"}],"core_research_areas":[],"news_room_topics":[],"event_categories":[{"id":"1791","name":"Student sponsored"}],"invited_audience":[],"affiliations":[],"classification":[],"areas_of_expertise":[],"news_and_recent_appearances":[],"phone":[],"contact":[{"value":"\u003Cstrong\u003EShirley Tomes\u003C\/strong\u003E\u003Cbr \/\u003EChemistry \u0026amp; Biochemistry\u003Cbr \/\u003E\u003Ca href=\u0022http:\/\/www.gatech.edu\/contact\/index.html?id=st81\u0022\u003EContact Shirley Tomes\u003C\/a\u003E\u003Cbr \/\u003E\u003Cstrong\u003E404-894-0591\u003C\/strong\u003E","format":"limited_html"}],"email":[],"slides":[],"orientation":[],"userdata":""}}}