{"id":146,"date":"2018-10-06T10:45:34","date_gmt":"2018-10-06T08:45:34","guid":{"rendered":"https:\/\/m19thtest-wordpress.web-srv02.dsi.universite-paris-saclay.fr\/?page_id=146"},"modified":"2019-05-09T18:46:43","modified_gmt":"2019-05-09T16:46:43","slug":"tutorial","status":"publish","type":"page","link":"https:\/\/m19thtest-wordpress.web-srv02.dsi.universite-paris-saclay.fr\/index.php\/registration\/tutorial\/","title":{"rendered":"tutorial"},"content":{"rendered":"

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Since 2015 the deMon developers workshop is accompanied by a training session on the deMon2k and deMon-nano programs.<\/h3>\n

the tutorial will take place on the campus of University Paris Saclay, in the south suburb of Paris, more specifically at la \u201cMaison de la Simulation<\/a><\/span>\u201d and the Laboratoire de Chimie Physique<\/a><\/span> in May 2019<\/span> from Monday 20th to Saturday 25 th . \u00a0<\/span><\/h3>\n

Morning lectures on the most important topics will be given by internationally renowned experts\u00a0 In the afternoons the participants will put this knowledge into practice during hands-on tutorials and will work on specific projects.<\/h4>\n

Registration is free. Lunches will be taken in charge by the organization. We also have funding to cover housing expenses of participants. Please contact us.<\/h4>\n

We are grateful to labex PALM and NEXT for generous fundings, as well as to the F\u00e9d\u00e9ration de Chimie Physique Paris Saclay and the Departement of Chemistry of University Paris Saclay<\/h4>\n

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<\/h2>\n

<\/h2>\n

Registration<\/span><\/a><\/h2>\n
\n

– \u00a0Generalities and historic of DFT <\/span>(Hohenberg and Kohn theorems, Kohn-Sham approach…). (Dennis Salahub).<\/p>\n

– Auxiliary DFT<\/span> (density fitting for Coulomb interactions, variational fitting of exact exchange for global and range separated hybrids, advanced linear algebra algorithms for density fitting) (Andreas K\u00f6ster)<\/p>\n

– Auxiliary Density Perturbation Theory for response properties. Magnetic properties by ADPT<\/span> (NMR shieldings,\u00a0 g-tensors, magnetizability, spin-coupling constants\u2026 ) (Bernardo Zuniga)<\/p>\n

– Time-Dependent ADFT: Runge and Gross theorem. Linear response formulation<\/span> (absorption spectra; Mark E. Casida). Real-time propagation of the density for attosecond electron dynamics simulations, propagators, linear algebra libraries<\/span> (Xiaojing Wu or Aur\u00e9lien de la Lande)<\/p>\n

– Inner-shell spectroscopies within the ADFT approach<\/span> (NEXAFS, XES) (Lars G.M. Pettersson)<\/p>\n

– Born-Oppenheimer\u00a0 molecular dynamics simulations based on ADFT<\/span> (Patrizia Calaminici)<\/p>\n

– Non-adiabatic MD based on real time Time-Dependent ADFT<\/span>. (Aurelio Alvarez Ibarra)<\/p>\n

– Modeling complex molecular systems 1. DFT\/MM approaches<\/span> (additive schemes, embedding techniques, polarizable force fields for QM\/MM, treatments of QM-MM frontiers) (Fabien Cailliez and Tzonka Mineva)<\/p>\n

– Modeling complex molecular systems 2<\/span>. DFTB (basic theory, self-consistent-charge, DFTB-CI,CPMD, Ehrenfest MD ) (Mathias Rapacioli)<\/p>\n

Participants<\/h2>\n

Sathishkumar Chinnasamy (Shanghai Jiao Tong University)<\/p>\n

Fabio Finocchi (Institut des NanoSciences de Paris, Universit\u00e9 Paris Sorbonne, Paris)<\/p>\n

Gilles Frison (Ecole polytechnique, Palaiseau, France)<\/p>\n

Rogelio Gomez (ISM2, Universit\u00e9 Aix Marseille, France)<\/p>\n

Florian Le Dantec (CEA, France)<\/p>\n

Luis Lopez-Sosa (CINVESTAV, Mexico city, Mexico)<\/p>\n

Fernand Louisnard (Universit\u00e9 Paul Sabatier, France)<\/p>\n

Pierre Halipr\u00e9 (Universit\u00e9 Paris Sud, France)<\/p>\n

Luis Hern\u00e1ndez-Segura (CINVESTAV, Mexico city, Mexico)<\/p>\n

Jiri\u00a0 Hostas (University of Calgary, Canada)<\/p>\n

Yannick Jeanvoine (Universit\u00e9 d’Evry, France)<\/p>\n

Satyavani Kaliamurthi(Henan University of Technology, China)<\/p>\n

Anand Kanika (ENSIACET, TOulouse, France)<\/p>\n

Adri\u00e1n Amor Mart\u00ednez Carranza (CINVESTAV, Mexico city, Mexico)<\/p>\n

Ismail Can Oguz (Universit\u00e9 de Montpellier, France)<\/p>\n

Angela Parise (University of Calabria, Italy, University Paris Sud, France)<\/p>\n

Gurudeeban Selvaraj (Henan University of Technology, China)<\/p>\n

Lei Shi (University Paris Sud, France)<\/p>\n

Kazi Shudipto Amin (University of Calgary, Canada)<\/p>\n

Rika Tandiana (Universit\u00e9 Paris Sud, France)<\/p>\n

Valentin Thirion\u00a0 (Universit\u00e9 Paris Sud, Orsay, France)<\/p>\n

Samira Zeroual (France)<\/p>\n

Ghada Attia (Conservatoire national des arts et m\u00e9tiers)<\/p>\n

H\u00e9ctor X\u00f3lotl Silos Vega (Universidad de Colima, Mexico)<\/p>\n","protected":false},"excerpt":{"rendered":"

Since 2015 the deMon developers workshop is accompanied by a training session on the deMon2k and deMon-nano programs. the tutorial will take place on the campus of University Paris Saclay, in the south suburb of Paris, more specifically at la… <\/p>\n","protected":false},"author":1,"featured_media":0,"parent":30,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-146","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/m19thtest-wordpress.web-srv02.dsi.universite-paris-saclay.fr\/index.php\/wp-json\/wp\/v2\/pages\/146","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/m19thtest-wordpress.web-srv02.dsi.universite-paris-saclay.fr\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/m19thtest-wordpress.web-srv02.dsi.universite-paris-saclay.fr\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/m19thtest-wordpress.web-srv02.dsi.universite-paris-saclay.fr\/index.php\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/m19thtest-wordpress.web-srv02.dsi.universite-paris-saclay.fr\/index.php\/wp-json\/wp\/v2\/comments?post=146"}],"version-history":[{"count":38,"href":"https:\/\/m19thtest-wordpress.web-srv02.dsi.universite-paris-saclay.fr\/index.php\/wp-json\/wp\/v2\/pages\/146\/revisions"}],"predecessor-version":[{"id":364,"href":"https:\/\/m19thtest-wordpress.web-srv02.dsi.universite-paris-saclay.fr\/index.php\/wp-json\/wp\/v2\/pages\/146\/revisions\/364"}],"up":[{"embeddable":true,"href":"https:\/\/m19thtest-wordpress.web-srv02.dsi.universite-paris-saclay.fr\/index.php\/wp-json\/wp\/v2\/pages\/30"}],"wp:attachment":[{"href":"https:\/\/m19thtest-wordpress.web-srv02.dsi.universite-paris-saclay.fr\/index.php\/wp-json\/wp\/v2\/media?parent=146"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}