{"id":1140,"date":"2022-06-08T15:10:03","date_gmt":"2022-06-08T15:10:03","guid":{"rendered":"https:\/\/www.nanosciences-spm-uhv.com\/?page_id=1140"},"modified":"2023-11-23T09:35:13","modified_gmt":"2023-11-23T09:35:13","slug":"axe5","status":"publish","type":"page","link":"https:\/\/www.nanosciences-spm-uhv.com\/en\/gdr\/thematiques\/axe5\/","title":{"rendered":"Theme 5"},"content":{"rendered":"<p class=\"wp-block-paragraph\"><a href=\"https:\/\/www.nanosciences-spm-uhv.com\/en\/gdr\/thematiques\/\">Back to Themes<\/a><\/p>\n\n\n\n<h2 class=\"wp-block-heading\" id=\"axe-5-concepts-theoriques-et-outils-numeriques\"><strong>Axe 5 : Concepts th\u00e9oriques et outils num\u00e9riques<\/strong><\/h2>\n\n\n\n<p class=\"wp-block-paragraph\">Coordinators:\u00a0<a href=\"https:\/\/www.cemes.fr\/gns\/\">Christian JOACHIM<\/a>\u00a0(CEMES, Toulouse), <a href=\"https:\/\/iramis.cea.fr\/Pisp\/yannick.dappe\/\">Yannick DAPPE<\/a> (SPEC, CEA)<\/p>\n\n\n\n<div class=\"wp-block-columns are-vertically-aligned-center is-style-no-spacing is-layout-flex wp-container-core-columns-is-layout-8f761849 wp-block-columns-is-layout-flex\">\n<div class=\"wp-block-column is-vertically-aligned-center is-layout-flow wp-block-column-is-layout-flow\" style=\"flex-basis:20%\">\n<div class=\"wp-block-cover\" style=\"min-height:243px;aspect-ratio:unset;\"><span aria-hidden=\"true\" class=\"wp-block-cover__background has-background-dim\"><\/span><img loading=\"lazy\" decoding=\"async\" width=\"217\" height=\"218\" class=\"wp-block-cover__image-background wp-image-1119\" alt=\"\" src=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2022\/06\/ESQC.png\" data-object-fit=\"cover\" srcset=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2022\/06\/ESQC.png 217w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2022\/06\/ESQC-150x150.png 150w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2022\/06\/ESQC-12x12.png 12w\" sizes=\"auto, (max-width: 217px) 100vw, 217px\" \/><div class=\"wp-block-cover__inner-container is-layout-flow wp-block-cover-is-layout-flow\">\n<p class=\"has-text-align-center has-light-color has-text-color has-large-font-size wp-block-paragraph\"><strong>Objectives<\/strong><\/p>\n<\/div><\/div>\n<\/div>\n\n\n\n<div class=\"wp-block-column is-vertically-aligned-center is-layout-flow wp-block-column-is-layout-flow\" style=\"padding-top:5%;padding-right:5%;padding-bottom:5%;padding-left:5%;flex-basis:80%\">\n<ul class=\"wp-block-list\">\n<li>Simulations num\u00e9riques des exp\u00e9riences champ proche :<\/li>\n<\/ul>\n\n\n\n<ol class=\"wp-block-list\">\n<li>Topographie STM \u00e0 courant constant, NC-AFM \u00e0 Z constant ou \u2206f constant<\/li>\n\n\n\n<li>spectroscopies tunnel : dnI\/dnV, dI\/dV, dZ\/dV<\/li>\n\n\n\n<li>spectroscopies NC-AFM : \u2206f\/dZ, \u2206f\/dV<\/li>\n<\/ol>\n\n\n\n<ul class=\"wp-block-list\">\n<li>Mettre \u00e0 disposition de la communaut\u00e9 les codes de calculs d\u00e9velopp\u00e9s dans les \u00e9quipes<\/li>\n\n\n\n<li>D\u00e9velopper des nouveaux codes de calculs prenant en compte l\u2019approche multi configurationnelle (SCF)<\/li>\n<\/ul>\n<\/div>\n<\/div>\n\n\n\n<h3 class=\"wp-block-heading\" id=\"les-differents-codes-et-les-moyens-de-calculs-associes\">Les diff\u00e9rents codes et les moyens de calculs associ\u00e9s<\/h3>\n\n\n\n<ul class=\"wp-block-list\">\n<li>&#8211; Code TH : PC de bureau,<\/li>\n\n\n\n<li>&#8211; code ESQC : multi-coeur de bureau \u00e0 supercalculateur,<\/li>\n\n\n\n<li>&#8211; code GREEN : multi-coeur de bureau \u00e0 supercalculateur,<\/li>\n\n\n\n<li>&#8211; code Dynamic AFM : multi-coeur de bureau \u00e0 supercalculateur,<\/li>\n\n\n\n<li>&#8211; code K-ESQC : meso-calculateur \u00e0 supercalculateur<\/li>\n\n\n\n<li>&#8211; premier code CI-ESQC : gros supercalculateurs<\/li>\n<\/ul>\n\n\n<div class=\"wp-block-image\">\n<figure class=\"aligncenter\"><img loading=\"lazy\" decoding=\"async\" width=\"846\" height=\"459\" src=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2021\/06\/Axe5_Codes.png\" alt=\"\" class=\"wp-image-376\" srcset=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2021\/06\/Axe5_Codes.png 846w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2021\/06\/Axe5_Codes-300x163.png 300w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2021\/06\/Axe5_Codes-768x417.png 768w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2021\/06\/Axe5_Codes-16x9.png 16w\" sizes=\"auto, (max-width: 846px) 100vw, 846px\" \/><\/figure>\n<\/div>\n\n\n<h3 class=\"wp-block-heading\" id=\"laboratoires-associes-a-cet-axe\">Laboratoires principaux associ\u00e9s \u00e0 cet axe<\/h3>\n\n\n\n<ul class=\"wp-block-list\">\n<li><a href=\"https:\/\/www.cemes.fr\/\" target=\"_blank\" rel=\"noreferrer noopener\">CEMES (Toulouse),<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/iramis.cea.fr\/spec\/\" target=\"_blank\" rel=\"noreferrer noopener\">SPEC (Saclay),<\/a><\/li>\n\n\n\n<li><a href=\"http:\/\/www.is2m.uha.fr\/fr\/accueil\/\" target=\"_blank\" rel=\"noreferrer noopener\">IS2M (Mulhouse),<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/www.chimie.ens.fr\/recherche\/laboratoire-pasteur\/\" target=\"_blank\" rel=\"noreferrer noopener\">PASTEUR (Paris),<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/www.femto-st.fr\/fr\" target=\"_blank\" rel=\"noreferrer noopener\">Femto-ST (Besan\u00e7on)<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/www.im2np.fr\/fr\" target=\"_blank\" rel=\"noreferrer noopener\">IM2NP (Marseille),<\/a><\/li>\n\n\n\n<li><a href=\"https:\/\/www.cinam.univ-mrs.fr\/cinam\/\" target=\"_blank\" rel=\"noreferrer noopener\">CINaM (Marseille)<\/a><\/li>\n<\/ul>\n\n\n\n<div style=\"height:31px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n\n<h2 class=\"wp-block-heading\">Derni\u00e8res publications<\/h2>\n\n\n\n<div class=\"wp-block-group\" style=\"padding-top:30px;padding-right:30px;padding-bottom:30px;padding-left:30px\"><div class=\"wp-block-group__inner-container is-layout-flow wp-block-group-is-layout-flow\">\n<div class=\"wp-block-columns is-layout-flex wp-container-core-columns-is-layout-8f761849 wp-block-columns-is-layout-flex\">\n<div class=\"wp-block-column is-layout-flow wp-block-column-is-layout-flow\" style=\"flex-basis:50%\">\n<div class=\"wp-block-query is-layout-flow wp-block-query-is-layout-flow\"><ul class=\"aligncenter wp-block-post-template is-layout-flow wp-block-post-template-is-layout-flow\"><li class=\"wp-block-post post-1696 post type-post status-publish format-standard has-post-thumbnail hentry category-axe-1 category-axe5\">\n<figure class=\"wp-block-post-featured-image\"><img loading=\"lazy\" decoding=\"async\" width=\"455\" height=\"384\" src=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/03\/Figure_VSe2_Na.jpg\" class=\"attachment-post-thumbnail size-post-thumbnail wp-post-image\" alt=\"\" style=\"height:75%;width:75%;object-fit:cover;\" srcset=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/03\/Figure_VSe2_Na.jpg 455w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/03\/Figure_VSe2_Na-300x253.jpg 300w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/03\/Figure_VSe2_Na-14x12.jpg 14w\" sizes=\"auto, (max-width: 455px) 100vw, 455px\" \/><\/figure>\n\n<h2 class=\"wp-block-post-title has-medium-font-size\"><a href=\"https:\/\/www.nanosciences-spm-uhv.com\/en\/pub6\/\" target=\"_blank\" >Formation of Monolayer Charge Density Waves and Anomalous Edge Doping in Na Doped Bulk VSe2<\/a><\/h2>\n\n\n<div style=\"height:35px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n<\/li><li class=\"wp-block-post post-1693 post type-post status-publish format-standard has-post-thumbnail hentry category-axe-1 category-axe5\">\n<figure class=\"wp-block-post-featured-image\"><img loading=\"lazy\" decoding=\"async\" width=\"373\" height=\"373\" src=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/03\/TOC_P_Cu.jpg\" class=\"attachment-post-thumbnail size-post-thumbnail wp-post-image\" alt=\"\" style=\"height:75%;width:75%;object-fit:cover;\" srcset=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/03\/TOC_P_Cu.jpg 373w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/03\/TOC_P_Cu-300x300.jpg 300w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/03\/TOC_P_Cu-150x150.jpg 150w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/03\/TOC_P_Cu-12x12.jpg 12w\" sizes=\"auto, (max-width: 373px) 100vw, 373px\" \/><\/figure>\n\n<h2 class=\"wp-block-post-title has-medium-font-size\"><a href=\"https:\/\/www.nanosciences-spm-uhv.com\/en\/dirac-fermions-in-blue-phosphorene-monolayer\/\" target=\"_blank\" >Dirac Fermions in Blue Phosphorene Monolayer<\/a><\/h2>\n\n\n<div style=\"height:35px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n<\/li><\/ul><\/div>\n<\/div>\n\n\n\n<div class=\"wp-block-column is-layout-flow wp-block-column-is-layout-flow\" style=\"flex-basis:50%\">\n<div class=\"wp-block-query is-layout-flow wp-block-query-is-layout-flow\"><ul class=\"aligncenter wp-block-post-template is-layout-flow wp-block-post-template-is-layout-flow\"><li class=\"wp-block-post post-1660 post type-post status-publish format-standard has-post-thumbnail hentry category-axe4 category-axe5\">\n\n<div style=\"height:107px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n<figure class=\"wp-block-post-featured-image\"><img loading=\"lazy\" decoding=\"async\" width=\"750\" height=\"154\" src=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/02\/NP_charging.png\" class=\"attachment-post-thumbnail size-post-thumbnail wp-post-image\" alt=\"\" style=\"height:75%;width:75%;object-fit:cover;\" srcset=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/02\/NP_charging.png 750w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/02\/NP_charging-300x62.png 300w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/02\/NP_charging-18x4.png 18w\" sizes=\"auto, (max-width: 750px) 100vw, 750px\" \/><\/figure>\n\n<h2 class=\"wp-block-post-title has-medium-font-size\"><a href=\"https:\/\/www.nanosciences-spm-uhv.com\/en\/pub3\/\" target=\"_blank\" >Collective amplification of nearby nanoparticles in the Coulomb blockade restricted charging of a single nanoparticle<\/a><\/h2>\n<\/li><li class=\"wp-block-post post-1632 post type-post status-publish format-standard has-post-thumbnail hentry category-axe2 category-axe5\">\n\n<div style=\"height:107px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n<figure class=\"wp-block-post-featured-image\"><img loading=\"lazy\" decoding=\"async\" width=\"320\" height=\"320\" src=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/02\/Image1.jpg\" class=\"attachment-post-thumbnail size-post-thumbnail wp-post-image\" alt=\"\" style=\"height:75%;width:75%;object-fit:cover;\" srcset=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/02\/Image1.jpg 320w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/02\/Image1-300x300.jpg 300w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/02\/Image1-150x150.jpg 150w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2023\/02\/Image1-12x12.jpg 12w\" sizes=\"auto, (max-width: 320px) 100vw, 320px\" \/><\/figure>\n\n<h2 class=\"wp-block-post-title has-medium-font-size\"><a href=\"https:\/\/www.nanosciences-spm-uhv.com\/en\/pub2\/\" target=\"_blank\" >Mapping Lamb, Stark, and Purcell Effects at a Chromophore-Picocavity Junction with Hyper-Resolved Fluorescence Microscopy<\/a><\/h2>\n<\/li><\/ul><\/div>\n<\/div>\n<\/div>\n<\/div><\/div>\n\n\n\n<div style=\"height:24px\" aria-hidden=\"true\" class=\"wp-block-spacer\"><\/div>\n\n\n\n<h3 class=\"wp-block-heading\" id=\"exemples-de-travaux-3\">Exemple de travaux<\/h3>\n\n\n\n<p class=\"wp-block-paragraph\"><strong>Calcul&nbsp;image&nbsp;dI\/dV&nbsp;ESQC de la&nbsp;mol\u00e9culepentac\u00e8ne&nbsp;sur Au(111)<\/strong><\/p>\n\n\n<div class=\"wp-block-image\">\n<figure class=\"aligncenter size-large is-resized\"><img loading=\"lazy\" decoding=\"async\" width=\"1024\" height=\"563\" src=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2021\/06\/Axe5_ESQC_Pentacene-1024x563.png\" alt=\"\" class=\"wp-image-377\" style=\"width:768px;height:422px\" srcset=\"https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2021\/06\/Axe5_ESQC_Pentacene-1024x563.png 1024w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2021\/06\/Axe5_ESQC_Pentacene-300x165.png 300w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2021\/06\/Axe5_ESQC_Pentacene-768x422.png 768w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2021\/06\/Axe5_ESQC_Pentacene-1536x844.png 1536w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2021\/06\/Axe5_ESQC_Pentacene-16x9.png 16w, https:\/\/www.nanosciences-spm-uhv.com\/wp-content\/uploads\/2021\/06\/Axe5_ESQC_Pentacene.png 1876w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><\/figure>\n<\/div>","protected":false},"excerpt":{"rendered":"<p>Retour vers les th\u00e9matiques Axe 5 : Concepts th\u00e9oriques et outils num\u00e9riques Responsables :\u00a0Christian JOACHIM\u00a0(CEMES, Toulouse), Yannick DAPPE (SPEC, CEA) Les diff\u00e9rents codes et les moyens de calculs associ\u00e9s Laboratoires principaux associ\u00e9s \u00e0 cet axe Derni\u00e8res publications Exemple de travaux Calcul&nbsp;image&nbsp;dI\/dV&nbsp;ESQC de la&nbsp;mol\u00e9culepentac\u00e8ne&nbsp;sur Au(111)<\/p>","protected":false},"author":1,"featured_media":0,"parent":685,"menu_order":5,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_uag_custom_page_level_css":"","footnotes":""},"class_list":["post-1140","page","type-page","status-publish","hentry"],"uagb_featured_image_src":{"full":false,"thumbnail":false,"medium":false,"medium_large":false,"large":false,"1536x1536":false,"2048x2048":false,"trp-custom-language-flag":false,"sow-carousel-default":false},"uagb_author_info":{"display_name":false,"author_link":"https:\/\/www.nanosciences-spm-uhv.com\/en\/author\/zpqq18wlui98\/"},"uagb_comment_info":0,"uagb_excerpt":"Retour vers les th\u00e9matiques Axe 5 : Concepts th\u00e9oriques et outils num\u00e9riques Responsables :\u00a0Christian JOACHIM\u00a0(CEMES, Toulouse), Yannick DAPPE (SPEC, CEA) Les diff\u00e9rents codes et les moyens de calculs associ\u00e9s Laboratoires principaux associ\u00e9s \u00e0 cet axe Derni\u00e8res publications Exemple de travaux Calcul&nbsp;image&nbsp;dI\/dV&nbsp;ESQC de la&nbsp;mol\u00e9culepentac\u00e8ne&nbsp;sur Au(111)","_links":{"self":[{"href":"https:\/\/www.nanosciences-spm-uhv.com\/en\/wp-json\/wp\/v2\/pages\/1140","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.nanosciences-spm-uhv.com\/en\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.nanosciences-spm-uhv.com\/en\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.nanosciences-spm-uhv.com\/en\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.nanosciences-spm-uhv.com\/en\/wp-json\/wp\/v2\/comments?post=1140"}],"version-history":[{"count":8,"href":"https:\/\/www.nanosciences-spm-uhv.com\/en\/wp-json\/wp\/v2\/pages\/1140\/revisions"}],"predecessor-version":[{"id":2103,"href":"https:\/\/www.nanosciences-spm-uhv.com\/en\/wp-json\/wp\/v2\/pages\/1140\/revisions\/2103"}],"up":[{"embeddable":true,"href":"https:\/\/www.nanosciences-spm-uhv.com\/en\/wp-json\/wp\/v2\/pages\/685"}],"wp:attachment":[{"href":"https:\/\/www.nanosciences-spm-uhv.com\/en\/wp-json\/wp\/v2\/media?parent=1140"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}