{"id":10137,"date":"2024-01-18T11:03:27","date_gmt":"2024-01-18T11:03:27","guid":{"rendered":"https:\/\/cc.eurohpc.pl\/?page_id=10137"},"modified":"2024-01-31T13:26:10","modified_gmt":"2024-01-31T13:26:10","slug":"icm-project-3-en","status":"publish","type":"page","link":"https:\/\/cc.eurohpc.pl\/index.php\/en\/icm-project-3-en\/","title":{"rendered":"ICM project 3 en"},"content":{"rendered":"\t\t<div data-elementor-type=\"wp-page\" data-elementor-id=\"10137\" class=\"elementor elementor-10137\" data-elementor-post-type=\"page\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-61fd49b elementor-section-full_width elementor-section-height-default elementor-section-height-default\" data-id=\"61fd49b\" data-element_type=\"section\" data-e-type=\"section\" data-settings=\"{&quot;background_background&quot;:&quot;slideshow&quot;,&quot;background_slideshow_gallery&quot;:[{&quot;id&quot;:6996,&quot;url&quot;:&quot;https:\\\/\\\/cc.eurohpc.pl\\\/wp-content\\\/uploads\\\/2022\\\/08\\\/Group-30998.png&quot;}],&quot;background_slideshow_loop&quot;:&quot;yes&quot;,&quot;background_slideshow_slide_duration&quot;:5000,&quot;background_slideshow_slide_transition&quot;:&quot;fade&quot;,&quot;background_slideshow_transition_duration&quot;:500}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-249afb0\" data-id=\"249afb0\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-8bdb392 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"8bdb392\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-063864e\" data-id=\"063864e\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-3c22da8\" data-id=\"3c22da8\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-0103632 elementor-hidden-desktop elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"0103632\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-0805754\" data-id=\"0805754\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;gradient&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-bbbd524 elementor-widget__width-initial elementor-widget-tablet__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"bbbd524\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p><strong>VADIM ZHURAVLEV<br \/><\/strong>INTERDISCIPLINARY CENTRE FOR MATHEMATICAL MODELLING<br \/>AND COMPUTER SCIENCE, UNIVERSITY OF WARSAW<strong><br \/>SUPERVISOR: PH.D.<\/strong><strong> MAREK MICHALEWICZ (ICM UW)<\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-227c162 elementor-hidden-tablet elementor-hidden-mobile elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"227c162\" data-element_type=\"section\" data-e-type=\"section\" data-settings=\"{&quot;background_background&quot;:&quot;slideshow&quot;,&quot;background_slideshow_gallery&quot;:[],&quot;background_slideshow_loop&quot;:&quot;yes&quot;,&quot;background_slideshow_slide_duration&quot;:5000,&quot;background_slideshow_slide_transition&quot;:&quot;fade&quot;,&quot;background_slideshow_transition_duration&quot;:500}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-77bf2c8 elementor-hidden-tablet elementor-hidden-mobile\" data-id=\"77bf2c8\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;gradient&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-21aad33 elementor-widget__width-initial elementor-widget-tablet__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"21aad33\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p><strong>VADIM ZHURAVLEV<br \/><\/strong>INTERDISCIPLINARY CENTRE FOR MATHEMATICAL MODELLING<br \/>AND COMPUTER SCIENCE<br \/><strong>SUPERVISOR: PH.D. MAREK MICHALEWICZ (ICM UW)<\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-0f3c8eb\" data-id=\"0f3c8eb\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-76dc60c elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"76dc60c\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-23a5349\" data-id=\"23a5349\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-b0843bc elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"b0843bc\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p><strong>Electron structure calculations of disordered TiO2 rutile on a vector computer<\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-a7fa65e\" data-id=\"a7fa65e\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-9602db0 elementor-section-full_width elementor-section-height-default elementor-section-height-default\" data-id=\"9602db0\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-b5d0dba\" data-id=\"b5d0dba\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-5a071af elementor-nav-menu__align-center elementor-nav-menu--dropdown-tablet elementor-nav-menu__text-align-aside elementor-widget elementor-widget-nav-menu\" data-id=\"5a071af\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;layout&quot;:&quot;horizontal&quot;,&quot;submenu_icon&quot;:{&quot;value&quot;:&quot;&lt;svg aria-hidden=\\&quot;true\\&quot; class=\\&quot;e-font-icon-svg e-fas-caret-down\\&quot; viewBox=\\&quot;0 0 320 512\\&quot; xmlns=\\&quot;http:\\\/\\\/www.w3.org\\\/2000\\\/svg\\&quot;&gt;&lt;path d=\\&quot;M31.3 192h257.3c17.8 0 26.7 21.5 14.1 34.1L174.1 354.8c-7.8 7.8-20.5 7.8-28.3 0L17.2 226.1C4.6 213.5 13.5 192 31.3 192z\\&quot;&gt;&lt;\\\/path&gt;&lt;\\\/svg&gt;&quot;,&quot;library&quot;:&quot;fa-solid&quot;}}\" data-widget_type=\"nav-menu.default\">\n\t\t\t\t\t\t\t\t<nav aria-label=\"Menu\" class=\"elementor-nav-menu--main elementor-nav-menu__container elementor-nav-menu--layout-horizontal e--pointer-none\">\n\t\t\t\t<ul id=\"menu-1-5a071af\" class=\"elementor-nav-menu\"><li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-10139\"><a href=\"#objective\" class=\"elementor-item elementor-item-anchor\">PROJECT OBJECTIVE<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-10140\"><a href=\"#tasks\" class=\"elementor-item elementor-item-anchor\">TASKS FOR THE SUPERCOMPUTER<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-10141\"><a href=\"#benefits\" class=\"elementor-item elementor-item-anchor\">BENEFITS OF COOPERATION<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-10142\"><a href=\"#efects\" class=\"elementor-item elementor-item-anchor\">EFFECTS<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-10143\"><a href=\"#recomendation\" class=\"elementor-item elementor-item-anchor\">RECOMMENDATION<\/a><\/li>\n<\/ul>\t\t\t<\/nav>\n\t\t\t\t\t\t<nav class=\"elementor-nav-menu--dropdown elementor-nav-menu__container\" aria-hidden=\"true\">\n\t\t\t\t<ul id=\"menu-2-5a071af\" class=\"elementor-nav-menu\"><li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-10139\"><a href=\"#objective\" class=\"elementor-item elementor-item-anchor\" tabindex=\"-1\">PROJECT OBJECTIVE<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-10140\"><a href=\"#tasks\" class=\"elementor-item elementor-item-anchor\" tabindex=\"-1\">TASKS FOR THE SUPERCOMPUTER<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-10141\"><a href=\"#benefits\" class=\"elementor-item elementor-item-anchor\" tabindex=\"-1\">BENEFITS OF COOPERATION<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-10142\"><a href=\"#efects\" class=\"elementor-item elementor-item-anchor\" tabindex=\"-1\">EFFECTS<\/a><\/li>\n<li class=\"menu-item menu-item-type-custom menu-item-object-custom menu-item-10143\"><a href=\"#recomendation\" class=\"elementor-item elementor-item-anchor\" tabindex=\"-1\">RECOMMENDATION<\/a><\/li>\n<\/ul>\t\t\t<\/nav>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-f6c1726 elementor-section-height-min-height elementor-section-full_width elementor-hidden-tablet elementor-hidden-mobile elementor-section-height-default elementor-section-items-middle\" data-id=\"f6c1726\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-3247e39\" data-id=\"3247e39\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-0f34224 elementor-absolute elementor-widget elementor-widget-image\" data-id=\"0f34224\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;_position&quot;:&quot;absolute&quot;}\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img fetchpriority=\"high\" decoding=\"async\" width=\"377\" height=\"565\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53.png\" class=\"attachment-medium_large size-medium_large wp-image-7001\" alt=\"\" srcset=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53.png 377w, https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53-200x300.png 200w\" sizes=\"(max-width: 377px) 100vw, 377px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-be8ce12\" data-id=\"be8ce12\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-f318be1 elementor-widget elementor-widget-heading\" data-id=\"f318be1\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">PROJECT OBJECTIVE<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-cb0299b elementor-widget elementor-widget-text-editor\" data-id=\"cb0299b\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The thesis-master&#8217;s dissertation concerns the calculation of the electron structure of rutile (TiO2) on the NEC SX-Aurora TSUBASA vector computer. Performing this type of calculation for large systems, i.e. containing millions of atoms, in an efficient manner is a very expensive task in terms of computational resources and requires adaptation of existing software to work on the NEC hardware architecture. The task is performed by solving the Schrodinger equation with the tight-binding Hamiltonian, in the formalism of the equation of motion method.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-368ad86 elementor-widget elementor-widget-heading\" data-id=\"368ad86\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">Project objective<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-766852d elementor-widget elementor-widget-text-editor\" data-id=\"766852d\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The main objective of the project is to carry out electron structure calculations of rutile (TiO2) on the NEC SX-Aurora TSUBASA vector computer in two variants:<br \/>(i) for a system not affected by structural defects and<br \/>(ii) for a system containing defects in the form of oxygen vacancies.<br \/>An existing implementation of the equation of motion method was used to complete the task. <br \/>The specific objective was to adapt the programme to work efficiently on the NEC vector architecture, optimise it, and perform performance and scaling tests on the new version of the programme.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-f37b781\" data-id=\"f37b781\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-f03f06d elementor-widget elementor-widget-image\" data-id=\"f03f06d\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img decoding=\"async\" width=\"330\" height=\"609\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54.png\" class=\"attachment-medium_large size-medium_large wp-image-7002\" alt=\"\" srcset=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54.png 330w, https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54-163x300.png 163w\" sizes=\"(max-width: 330px) 100vw, 330px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-c48718b elementor-section-height-min-height elementor-hidden-desktop elementor-section-boxed elementor-section-height-default elementor-section-items-middle\" data-id=\"c48718b\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-60e831e\" data-id=\"60e831e\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-51c17bd elementor-widget elementor-widget-heading\" data-id=\"51c17bd\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">PROJECT OBJECTIVE<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-45fd8ae elementor-widget elementor-widget-text-editor\" data-id=\"45fd8ae\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The thesis-master&#8217;s dissertation concerns the calculation of the electron structure of rutile (TiO2) on the NEC SX-Aurora TSUBASA vector computer. Performing this type of calculation for large systems, i.e. containing millions of atoms, in an efficient manner is a very expensive task in terms of computational resources and requires adaptation of existing software to work on the NEC hardware architecture. The task is performed by solving the Schrodinger equation with the tight-binding Hamiltonian, in the formalism of the equation of motion method.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-eca82df elementor-widget elementor-widget-heading\" data-id=\"eca82df\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">Project objective<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-d0b4daf elementor-widget elementor-widget-text-editor\" data-id=\"d0b4daf\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The main objective of the project is to carry out electron structure calculations of rutile (TiO2) on the NEC SX-Aurora TSUBASA vector computer in two variants:<br \/>(i) for a system not affected by structural defects and<br \/>(ii) for a system containing defects in the form of oxygen vacancies.<br \/>An existing implementation of the equation of motion method was used to complete the task. <br \/>The specific objective was to adapt the programme to work efficiently on the NEC vector architecture, optimise it, and perform performance and scaling tests on the new version of the programme.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-1943621 elementor-absolute elementor-hidden-desktop elementor-widget elementor-widget-image\" data-id=\"1943621\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;_position&quot;:&quot;absolute&quot;}\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img decoding=\"async\" width=\"330\" height=\"609\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54.png\" class=\"attachment-large size-large wp-image-7002\" alt=\"\" srcset=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54.png 330w, https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54-163x300.png 163w\" sizes=\"(max-width: 330px) 100vw, 330px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-feb1210 elementor-absolute elementor-hidden-desktop elementor-widget elementor-widget-image\" data-id=\"feb1210\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;_position&quot;:&quot;absolute&quot;}\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"377\" height=\"565\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53.png\" class=\"attachment-large size-large wp-image-7001\" alt=\"\" srcset=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53.png 377w, https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53-200x300.png 200w\" sizes=\"(max-width: 377px) 100vw, 377px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-5a9e3b8 elementor-section-full_width elementor-section-height-min-height elementor-section-height-default elementor-section-items-middle\" data-id=\"5a9e3b8\" data-element_type=\"section\" data-e-type=\"section\" id=\"zadania\" data-settings=\"{&quot;background_background&quot;:&quot;slideshow&quot;,&quot;background_slideshow_gallery&quot;:[{&quot;id&quot;:6997,&quot;url&quot;:&quot;https:\\\/\\\/cc.eurohpc.pl\\\/wp-content\\\/uploads\\\/2022\\\/08\\\/Group-30999.png&quot;}],&quot;background_slideshow_loop&quot;:&quot;yes&quot;,&quot;background_slideshow_slide_duration&quot;:5000,&quot;background_slideshow_slide_transition&quot;:&quot;fade&quot;,&quot;background_slideshow_transition_duration&quot;:500}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-8f3ab82\" data-id=\"8f3ab82\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-77b2154 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"77b2154\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-7c73b10\" data-id=\"7c73b10\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-9446273 elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"9446273\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>TASKS FOR THE SUPERCOMPUTER<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-38f1189 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"38f1189\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-0cfc31a\" data-id=\"0cfc31a\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-540978c elementor-widget elementor-widget-text-editor\" data-id=\"540978c\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>01.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-f2dd875\" data-id=\"f2dd875\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-31b3852 elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"31b3852\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-911328a elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"911328a\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The project involved the use of an implementation of the equation of motion, which in its original version was designed to run on earlier generations of vector computers (including the Cray-2 and NEC SX-4). The NEC SX-Aurora TSUBASA architecture represents the latest model of the SX series and is thus the natural operating environment for the programme. Furthermore, at the time of the project, the only such platform in Poland was available as part of the ICM computing infrastructure.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-509105e elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"509105e\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-d99efa3\" data-id=\"d99efa3\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7909b3e elementor-widget elementor-widget-text-editor\" data-id=\"7909b3e\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>02.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-733731a\" data-id=\"733731a\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7bc5d0e elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"7bc5d0e\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-3333e87 elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"3333e87\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>Calculations of the electron structure of rutile (TiO2) were performed using the equation of motion method. The work also included a software development process &#8211; adapting it to run on the new NEC hardware architecture (vectorisation, optimisation) &#8211; in addition to performance and scalability tests. Computations were carried out using eight vector computer extension cards (vector engines).<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-b15303f elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"b15303f\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-ca207e9\" data-id=\"ca207e9\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-762f3e1 elementor-widget elementor-widget-text-editor\" data-id=\"762f3e1\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>03.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-6f09b7a\" data-id=\"6f09b7a\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-9dc2290 elementor-widget-divider--view-line elementor-widget elementor-widget-divider\" data-id=\"9dc2290\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"divider.default\">\n\t\t\t\t\t\t\t<div class=\"elementor-divider\">\n\t\t\t<span class=\"elementor-divider-separator\">\n\t\t\t\t\t\t<\/span>\n\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-b9fc5c9 elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"b9fc5c9\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The implementation of the equation of motion method was developed using tools dedicated to the NEC architecture and provided by the computer manufacturer: a Fortran language compiler, as well as libraries (MPI) and utilities for, among other things, performance analysis.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-fbdd900 elementor-section-height-min-height elementor-section-boxed elementor-section-height-default elementor-section-items-middle\" data-id=\"fbdd900\" data-element_type=\"section\" data-e-type=\"section\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-dba002c\" data-id=\"dba002c\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-016e038 elementor-section-height-min-height elementor-section-boxed elementor-section-height-default elementor-section-items-middle\" data-id=\"016e038\" data-element_type=\"section\" data-e-type=\"section\" id=\"korzysci\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-a351c29\" data-id=\"a351c29\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-8838cc5 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"8838cc5\" data-element_type=\"section\" data-e-type=\"section\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-65fb389\" data-id=\"65fb389\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-967096f elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"967096f\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>BENEFITS OF COOPERATION<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-b6534b7 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"b6534b7\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-2d3a940\" data-id=\"2d3a940\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-bb1d809 elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"bb1d809\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The use of a vector computer to determine the electronic structure of materials yields results for systems on an unprecedented scale. The largest structures calculated contained more than 244 million atoms for a defect-free system and more than 30 million atoms for a system containing oxygen vacancies. These are much larger structures than have ever been achieved with an implementation of this method.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-41a23f0\" data-id=\"41a23f0\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-8fdb0a4 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"8fdb0a4\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-027e4d9\" data-id=\"027e4d9\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1e2a02f elementor-widget__width-initial elementor-widget elementor-widget-text-editor\" data-id=\"1e2a02f\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The ICM infrastructure provided the only <strong>NEC SX-Aurora TSUBASA computer<\/strong>.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-7923b09\" data-id=\"7923b09\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-02e1219 elementor-section-full_width elementor-hidden-tablet elementor-hidden-mobile elementor-section-height-default elementor-section-height-default\" data-id=\"02e1219\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-f53e906\" data-id=\"f53e906\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-c978395\" data-id=\"c978395\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-0ae5c26 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"0ae5c26\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-fcb6d63\" data-id=\"fcb6d63\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-c2944ea elementor-widget elementor-widget-image\" data-id=\"c2944ea\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"20\" height=\"23\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/06\/Polygon-3.png\" class=\"attachment-large size-large wp-image-6058\" alt=\"\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-ac3a69a\" data-id=\"ac3a69a\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7d783f8 elementor-widget elementor-widget-text-editor\" data-id=\"7d783f8\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>244 million<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-28f8b5e\" data-id=\"28f8b5e\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-9287c87 elementor-widget elementor-widget-text-editor\" data-id=\"9287c87\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: left;\">ATOMAS IN THE LARGEST OBLIGATED STRUCTURE<strong><br \/><\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-919092f elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"919092f\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-e951832 elementor-hidden-tablet elementor-hidden-mobile\" data-id=\"e951832\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-d569848\" data-id=\"d569848\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-0102591 elementor-widget elementor-widget-image\" data-id=\"0102591\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"20\" height=\"23\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/06\/Polygon-3.png\" class=\"attachment-large size-large wp-image-6058\" alt=\"\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-6ab2393\" data-id=\"6ab2393\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-e017ce4 elementor-widget elementor-widget-text-editor\" data-id=\"e017ce4\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>30 million<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-d9bdeff\" data-id=\"d9bdeff\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1d26cd6 elementor-widget elementor-widget-text-editor\" data-id=\"1d26cd6\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: left;\">ATOMES FOR A SYSTEM CONTAINING TLENE VACANCIES<strong><br \/><\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<div class=\"elementor-element elementor-element-54d057d elementor-widget elementor-widget-heading\" data-id=\"54d057d\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">EFFECTS<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-3bba619 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"3bba619\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-7823207\" data-id=\"7823207\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-6c51676\" data-id=\"6c51676\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-dd1a9a7 elementor-widget elementor-widget-text-editor\" data-id=\"dd1a9a7\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The project has resulted in a new version of the implementation of the equation of motion method, 'EQMO&#8217;, adapted to work efficiently on the latest NEC vector computer. The programme development process and the results obtained are described in the body of the thesis.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-036efb7 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"036efb7\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-205acf4\" data-id=\"205acf4\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-e90f94f elementor-widget elementor-widget-heading\" data-id=\"e90f94f\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">Scientific outcomes:<\/h2>\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-d3df3e8 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"d3df3e8\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-266dacf\" data-id=\"266dacf\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-14584a8\" data-id=\"14584a8\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-e824403 elementor-widget elementor-widget-text-editor\" data-id=\"e824403\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>V.Zhuravlev, M.Hermanowicz, M.T.Michalewicz<br \/>EQMO: Equation of motion method for efficient electronic structure calculations<br \/>Computer Physics Communications, vol. 267, October 2021, 108064<br \/>The publication: <a href=\"https:\/\/doi.org\/10.1016\/j.cpc.2021.108064\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.1016\/j.cpc.2021.108064<\/a><br \/>The programme: <a href=\"https:\/\/doi.org\/10.17632\/5m7jp4nb4y.1\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.17632\/5m7jp4nb4y.1<\/a><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-10f205d elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"10f205d\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-0a3497d\" data-id=\"0a3497d\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-37b2910\" data-id=\"37b2910\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1d7ef1b elementor-widget elementor-widget-text-editor\" data-id=\"1d7ef1b\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The programme and its source code have been published in Computer Physics Communications (<a href=\"https:\/\/doi.org\/10.1016\/j.cpc.2021.108064\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.1016\/j.cpc.2021.108064<\/a>) and are also available in a public repository under the GNU General Public License v3: <a href=\"https:\/\/git.icm.edu.pl\/herman\/eqmo\" target=\"_blank\" rel=\"noopener\">https:\/\/git.icm.edu.pl\/herman\/eqmo<\/a><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-68a4019 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"68a4019\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-af575d6\" data-id=\"af575d6\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-1a3071d\" data-id=\"1a3071d\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7ab5b6f elementor-widget elementor-widget-text-editor\" data-id=\"7ab5b6f\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The programme forms the basis for further development work and, with appropriate modification, can be used for materials research for other, more complex systems.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-top-column elementor-element elementor-element-682d101\" data-id=\"682d101\" data-element_type=\"column\" data-e-type=\"column\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-9e673e1 elementor-hidden-desktop elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"9e673e1\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-1efb0e9\" data-id=\"1efb0e9\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-e3d2ba6 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"e3d2ba6\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-9c188cc elementor-hidden-mobile\" data-id=\"9c188cc\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-678bbc3 elementor-widget elementor-widget-image\" data-id=\"678bbc3\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"20\" height=\"23\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/06\/Polygon-3.png\" class=\"attachment-large size-large wp-image-6058\" alt=\"\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-1999c1c\" data-id=\"1999c1c\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-b8a33d8 elementor-widget elementor-widget-text-editor\" data-id=\"b8a33d8\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>244 million<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-33 elementor-inner-column elementor-element elementor-element-8dc3065\" data-id=\"8dc3065\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-e79a05a elementor-widget elementor-widget-text-editor\" data-id=\"e79a05a\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: left;\">ATOMAS IN THE LARGEST OBLIGATED STRUCTURE`<strong><br \/><\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-4b19c24 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"4b19c24\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-f90814a elementor-hidden-mobile\" data-id=\"f90814a\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-2f03cb3 elementor-hidden-mobile\" data-id=\"2f03cb3\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-32376bc elementor-widget elementor-widget-image\" data-id=\"32376bc\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"20\" height=\"23\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/06\/Polygon-3.png\" class=\"attachment-large size-large wp-image-6058\" alt=\"\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-da38818\" data-id=\"da38818\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7186a33 elementor-widget elementor-widget-text-editor\" data-id=\"7186a33\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>30 million<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-25 elementor-inner-column elementor-element elementor-element-baf7ae2\" data-id=\"baf7ae2\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-97e8d8b elementor-widget elementor-widget-text-editor\" data-id=\"97e8d8b\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: left;\">ATOMES FOR A SYSTEM CONTAINING TLENE VACANCIES<strong><br \/><\/strong><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<div class=\"elementor-element elementor-element-321ade3 elementor-widget elementor-widget-heading\" data-id=\"321ade3\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">EFFECTS<\/h2>\t\t\t\t<\/div>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-35679d2 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"35679d2\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-1c7e9f3\" data-id=\"1c7e9f3\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-95b1ec7 elementor-widget elementor-widget-text-editor\" data-id=\"95b1ec7\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The project has resulted in a new version of the implementation of the equation of motion method, 'EQMO&#8217;, adapted to work efficiently on the latest NEC vector computer. The programme development process and the results obtained are described in the body of the thesis.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-18a20f2 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"18a20f2\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-1cfd212\" data-id=\"1cfd212\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1f07be3 elementor-widget elementor-widget-heading\" data-id=\"1f07be3\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"heading.default\">\n\t\t\t\t\t<h2 class=\"elementor-heading-title elementor-size-default\">Efekty naukowe:<\/h2>\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-1c0f843 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"1c0f843\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-04d31d6\" data-id=\"04d31d6\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-58bcf9e elementor-widget elementor-widget-text-editor\" data-id=\"58bcf9e\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>V.Zhuravlev, M.Hermanowicz, M.T.Michalewicz<br \/>EQMO: Equation of motion method for efficient electronic structure calculations<br \/>Computer Physics Communications, vol. 267, October 2021, 108064<br \/>The publication: <a href=\"https:\/\/doi.org\/10.1016\/j.cpc.2021.108064\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.1016\/j.cpc.2021.108064<\/a><br \/>The programme: <a href=\"https:\/\/doi.org\/10.17632\/5m7jp4nb4y.1\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.17632\/5m7jp4nb4y.1<\/a><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-48f98e2 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"48f98e2\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-48d2d97\" data-id=\"48d2d97\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-7cf43b1 elementor-widget elementor-widget-text-editor\" data-id=\"7cf43b1\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The programme and its source code have been published in Computer Physics Communications (<a href=\"https:\/\/doi.org\/10.1016\/j.cpc.2021.108064\" target=\"_blank\" rel=\"noopener\">https:\/\/doi.org\/10.1016\/j.cpc.2021.108064<\/a>) and are also available in a public repository under the GNU General Public License v3: <a href=\"https:\/\/git.icm.edu.pl\/herman\/eqmo\" target=\"_blank\" rel=\"noopener\">https:\/\/git.icm.edu.pl\/herman\/eqmo<\/a><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-b7a9530 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"b7a9530\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-inner-column elementor-element elementor-element-a8df217\" data-id=\"a8df217\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1d444c2 elementor-widget elementor-widget-text-editor\" data-id=\"1d444c2\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p>The programme forms the basis for further development work and, with appropriate modification, can be used for materials research for other, more complex systems.<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<div class=\"elementor-element elementor-element-ae37040 elementor-absolute elementor-hidden-desktop elementor-widget elementor-widget-image\" data-id=\"ae37040\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;_position&quot;:&quot;absolute&quot;}\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"377\" height=\"565\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53.png\" class=\"attachment-large size-large wp-image-7001\" alt=\"\" srcset=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53.png 377w, https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-53-200x300.png 200w\" sizes=\"(max-width: 377px) 100vw, 377px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-3825547 elementor-widget-tablet__width-initial elementor-absolute elementor-hidden-desktop elementor-widget elementor-widget-image\" data-id=\"3825547\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;_position&quot;:&quot;absolute&quot;}\" data-widget_type=\"image.default\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<img decoding=\"async\" width=\"330\" height=\"609\" src=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54.png\" class=\"attachment-large size-large wp-image-7002\" alt=\"\" srcset=\"https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54.png 330w, https:\/\/cc.eurohpc.pl\/wp-content\/uploads\/2022\/08\/Mask-Group-54-163x300.png 163w\" sizes=\"(max-width: 330px) 100vw, 330px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-f0cf102 elementor-section-height-min-height elementor-section-boxed elementor-section-height-default elementor-section-items-middle\" data-id=\"f0cf102\" data-element_type=\"section\" data-e-type=\"section\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-4cc81f8\" data-id=\"4cc81f8\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-8523910 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"8523910\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-570351e\" data-id=\"570351e\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-825990f elementor-widget elementor-widget-text-editor\" data-id=\"825990f\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: center;\">SEE ALSO<\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-3a77ba9\" data-id=\"3a77ba9\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-1bda88a elementor-absolute elementor-hidden-tablet elementor-hidden-mobile elementor-view-default elementor-widget elementor-widget-icon\" data-id=\"1bda88a\" data-element_type=\"widget\" data-e-type=\"widget\" data-settings=\"{&quot;_position&quot;:&quot;absolute&quot;}\" data-widget_type=\"icon.default\">\n\t\t\t\t\t\t\t<div class=\"elementor-icon-wrapper\">\n\t\t\t<a class=\"elementor-icon\" href=\"https:\/\/cc.eurohpc.pl\/index.php\/en\/projects-completed-through-the-use-of-hpc\/\" target=\"_blank\">\n\t\t\t<svg xmlns=\"http:\/\/www.w3.org\/2000\/svg\" viewBox=\"0 0 507.41 42.62\"><defs><style>.cls-1{fill:none;stroke:#aa8424;stroke-miterlimit:10;stroke-width:3px;}<\/style><\/defs><title>kreska_uko\u015bna<\/title><g id=\"Warstwa_2\" data-name=\"Warstwa 2\"><g id=\"Warstwa_1-2\" data-name=\"Warstwa 1\"><polyline class=\"cls-1\" points=\"507.41 41.12 3.91 41.12 48.41 1.12\"><\/polyline><\/g><\/g><\/svg>\t\t\t<\/a>\n\t\t<\/div>\n\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-inner-section elementor-element elementor-element-1c764f1 elementor-section-boxed elementor-section-height-default elementor-section-height-default\" data-id=\"1c764f1\" data-element_type=\"section\" data-e-type=\"section\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-3683145\" data-id=\"3683145\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t<div class=\"elementor-column elementor-col-50 elementor-inner-column elementor-element elementor-element-a0415f5\" data-id=\"a0415f5\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap elementor-element-populated\">\n\t\t\t\t\t\t<div class=\"elementor-element elementor-element-3e72d8b elementor-widget elementor-widget-text-editor\" data-id=\"3e72d8b\" data-element_type=\"widget\" data-e-type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t\t\t\t\t\t<p style=\"text-align: center;\"><a href=\"https:\/\/cc.eurohpc.pl\/index.php\/en\/start_en\/\" target=\"_blank\" rel=\"noopener\"><strong>BACK TO MAP<\/strong><\/a><\/p>\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<section class=\"elementor-section elementor-top-section elementor-element elementor-element-d8d5360 elementor-section-height-min-height elementor-section-boxed elementor-section-height-default elementor-section-items-middle\" data-id=\"d8d5360\" data-element_type=\"section\" data-e-type=\"section\" data-settings=\"{&quot;background_background&quot;:&quot;classic&quot;}\">\n\t\t\t\t\t\t<div class=\"elementor-container elementor-column-gap-default\">\n\t\t\t\t\t<div class=\"elementor-column elementor-col-100 elementor-top-column elementor-element elementor-element-b30f078\" data-id=\"b30f078\" data-element_type=\"column\" data-e-type=\"column\">\n\t\t\t<div class=\"elementor-widget-wrap\">\n\t\t\t\t\t\t\t<\/div>\n\t\t<\/div>\n\t\t\t\t\t<\/div>\n\t\t<\/section>\n\t\t\t\t<\/div>\n\t\t","protected":false},"excerpt":{"rendered":"<p>VADIM ZHURAVLEVINTERDISCIPLINARY CENTRE FOR MATHEMATICAL MODELLINGAND COMPUTER SCIENCE, UNIVERSITY OF WARSAWSUPERVISOR: PH.D. MAREK MICHALEWICZ (ICM UW) VADIM ZHURAVLEVINTERDISCIPLINARY CENTRE FOR MATHEMATICAL MODELLINGAND COMPUTER SCIENCESUPERVISOR: PH.D. MAREK MICHALEWICZ (ICM UW) Electron structure calculations of disordered TiO2 rutile on a vector computer PROJECT OBJECTIVE The thesis-master&#8217;s dissertation concerns the calculation of the electron structure of rutile (TiO2)&hellip;&nbsp;<a href=\"https:\/\/cc.eurohpc.pl\/index.php\/en\/icm-project-3-en\/\" rel=\"bookmark\">Dowiedz si\u0119 wi\u0119cej &raquo;<span class=\"screen-reader-text\">ICM project 3 en<\/span><\/a><\/p>\n","protected":false},"author":5,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"page-templates\/template-pagebuilder-full-width.php","meta":{"_monsterinsights_skip_tracking":false,"_monsterinsights_sitenote_active":false,"_monsterinsights_sitenote_note":"","_monsterinsights_sitenote_category":0,"neve_meta_sidebar":"","neve_meta_container":"","neve_meta_enable_content_width":"","neve_meta_content_width":0,"neve_meta_title_alignment":"","neve_meta_author_avatar":"","neve_post_elements_order":"","neve_meta_disable_header":"","neve_meta_disable_footer":"","neve_meta_disable_title":"","footnotes":""},"class_list":["post-10137","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/pages\/10137","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/users\/5"}],"replies":[{"embeddable":true,"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/comments?post=10137"}],"version-history":[{"count":20,"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/pages\/10137\/revisions"}],"predecessor-version":[{"id":10732,"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/pages\/10137\/revisions\/10732"}],"wp:attachment":[{"href":"https:\/\/cc.eurohpc.pl\/index.php\/wp-json\/wp\/v2\/media?parent=10137"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}