{"id":9276,"date":"2023-10-09T22:40:10","date_gmt":"2023-10-09T17:10:10","guid":{"rendered":"https:\/\/nsmindia.in\/?p=9276"},"modified":"2025-10-31T21:11:05","modified_gmt":"2025-10-31T15:41:05","slug":"materials-and-computational-chemistry-applications-on-hpc-platform-2","status":"publish","type":"post","link":"https:\/\/nsmindia.in\/hi\/materials-and-computational-chemistry-applications-on-hpc-platform-2\/","title":{"rendered":"\u090f\u091a\u092a\u0940\u0938\u0940 \u092a\u094d\u0932\u0947\u091f\u092b\u0949\u0930\u094d\u092e \u092a\u0930 \u0938\u093e\u092e\u0917\u094d\u0930\u0940 \u0914\u0930 \u0915\u092e\u094d\u092a\u094d\u092f\u0942\u091f\u0947\u0936\u0928\u0932 \u0930\u0938\u093e\u092f\u0928 \u0935\u093f\u091c\u094d\u091e\u093e\u0928 \u0905\u0928\u0941\u092a\u094d\u0930\u092f\u094b\u0917"},"content":{"rendered":"<h4 class=\"font-weight-bold mb-4\">\u090f\u091a\u092a\u0940\u0938\u0940 \u092a\u094d\u0932\u0947\u091f\u092b\u0949\u0930\u094d\u092e \u092a\u0930 \u0938\u093e\u092e\u0917\u094d\u0930\u0940 \u0914\u0930 \u0915\u092e\u094d\u092a\u094d\u092f\u0942\u091f\u0947\u0936\u0928\u0932 \u0930\u0938\u093e\u092f\u0928 \u0935\u093f\u091c\u094d\u091e\u093e\u0928 \u0905\u0928\u0941\u092a\u094d\u0930\u092f\u094b\u0917\u094b\u0902 \u092a\u0930 \u0915\u093e\u0930\u094d\u092f\u0936\u093e\u0932\u093e<\/h4>\r\n<p class=\"mb-4\">\u0930\u093e\u0937\u094d\u091f\u094d\u0930\u0940\u092f \u0938\u0941\u092a\u0930\u0915\u0902\u092a\u094d\u092f\u0942\u091f\u093f\u0902\u0917 \u092e\u093f\u0936\u0928 (\u090f\u0928\u090f\u0938\u090f\u092e) \u0915\u0947 \u0924\u0939\u0924 \u0906\u092f\u094b\u091c\u0928<\/p>\r\n\r\n<div>\r\n  <h5>\u0915\u093e\u0930\u094d\u092f\u0915\u094d\u0930\u092e \u0935\u093f\u0935\u0930\u0923<\/h5>\r\n  <div class=\"translation-block\"><strong>\u0926\u093f\u0928\u093e\u0902\u0915:<\/strong> \u0938\u094b\u092e\u0935\u093e\u0930, 9 \u0905\u0915\u094d\u091f\u0942\u092c\u0930, 2023 \u0938\u0947 \u092c\u0941\u0927\u0935\u093e\u0930, 11 \u0905\u0915\u094d\u091f\u0942\u092c\u0930, 2023<\/div>\r\n  <div class=\"translation-block\"><strong>\u0938\u094d\u0925\u093e\u0928:<\/strong> \u092a\u0941\u0923\u0947 \u0914\u0930 \u0911\u0928\u0932\u093e\u0907\u0928<\/div>\r\n  <div><strong>\u0938\u0902\u092a\u0930\u094d\u0915:<\/strong> <a href=\"mailto:mscc-workshop@cdac.in\">mscc-workshop@cdac.in<\/a><\/div>\r\n  <div class=\"translation-block\"><strong>\u092a\u0902\u091c\u0940\u0915\u0930\u0923:<\/strong>\n<a href=\"https:\/\/forms.gle\/g54xoa2ZdUw2iUqy7\" target=\"_blank\" rel=\"noopener\">\u0917\u0942\u0917\u0932 \u092b\u093c\u0949\u0930\u094d\u092e<\/a><\/div>\r\n\r\n  <div>&nbsp;<\/div>\r\n  <hr \/>\r\n  <div>&nbsp;<\/div>\r\n\r\n  <h5 class=\"card-title\">\u0915\u093e\u0930\u094d\u092f\u0936\u093e\u0932\u093e \u0915\u0947 \u092c\u093e\u0930\u0947 \u092e\u0947\u0902<\/h5>\r\n  <div>\r\n    \u0907\u0938 \u0915\u093e\u0930\u094d\u092f\u0936\u093e\u0932\u093e \u092e\u0947\u0902 \u092a\u0930\u092e\u093e\u0923\u0941\u0913\u0902, \u0905\u0923\u0941\u0913\u0902, \u0938\u092e\u0942\u0939\u094b\u0902, \u092e\u093f\u0936\u094d\u0930\u0927\u093e\u0924\u0941\u0913\u0902, \u091c\u0948\u0935-\u0905\u0923\u0941\u0913\u0902 \u0914\u0930 \u092e\u093f\u0936\u094d\u0930\u093f\u0924 \u092a\u0926\u093e\u0930\u094d\u0925\u094b\u0902 \u0915\u0947 \u090f\u091a\u092a\u0940\u0938\u0940 \u0915\u093e \u0909\u092a\u092f\u094b\u0917 \u0915\u0930\u0915\u0947 \u0915\u092e\u094d\u092a\u094d\u092f\u0942\u091f\u0947\u0936\u0928\u0932 \u0905\u0927\u094d\u092f\u092f\u0928 \u0939\u0947\u0924\u0941 \u090f\u0928\u090f\u0938\u090f\u092e \u0915\u0947 \u0905\u0902\u0924\u0930\u094d\u0917\u0924 \u0935\u093f\u0915\u0938\u093f\u0924 \u0938\u0949\u092b\u094d\u091f\u0935\u0947\u092f\u0930 \u0915\u093e \u092a\u094d\u0930\u0926\u0930\u094d\u0936\u0928 \u0915\u093f\u092f\u093e \u091c\u093e\u090f\u0917\u093e\u0964 \u0938\u0924\u094d\u0930\u094b\u0902 \u092e\u0947\u0902 \u0921\u0947\u0935\u0932\u092a\u0930\u094d\u0938 \u0926\u094d\u0935\u093e\u0930\u093e \u0935\u094d\u092f\u093e\u0916\u094d\u092f\u093e\u0928 \u0914\u0930 \u0932\u093e\u0907\u0935 \u092a\u094d\u0930\u0926\u0930\u094d\u0936\u0928 \u092d\u0940 \u0936\u093e\u092e\u093f\u0932 \u0939\u094b\u0902\u0917\u0947\u0964\r\n  <\/div>\r\n\r\n  <div><strong>\u092d\u093e\u0917\u0940\u0926\u093e\u0930\u0940:<\/strong><\/div>\r\n  <ul>\r\n    <li>35 \u0935\u094d\u092f\u0915\u094d\u0924\u093f\u0917\u0924 \u092a\u094d\u0930\u0924\u093f\u092d\u093e\u0917\u093f\u092f\u094b\u0902 \u0924\u0915 \u0938\u0940\u092e\u093f\u0924 (\u0936\u094b\u0927 \u0905\u0927\u094d\u092f\u0947\u0924\u093e\u0913\u0902, \u092a\u0940\u090f\u091a\u0921\u0940 \u091b\u093e\u0924\u094d\u0930\u094b\u0902 \u0914\u0930 \u092a\u094b\u0938\u094d\u091f\u0921\u0949\u0915\u094d \u0915\u0947 \u0932\u093f\u090f \u0935\u094d\u092f\u092f \u0915\u0935\u0930 \u0915\u093f\u092f\u093e \u0917\u092f\u093e)<\/li>\r\n    <li>\u0911\u0928\u0932\u093e\u0907\u0928 \u092e\u093e\u0927\u094d\u092f\u092e \u0938\u0947 \u0938\u092d\u0940 \u0915\u0947 \u0932\u093f\u090f \u0916\u0941\u0932\u093e \u0939\u0948<\/li>\r\n  <\/ul>\r\n\r\n  <div>&nbsp;<\/div>\r\n  <hr \/>\r\n  <div>&nbsp;<\/div>\r\n\r\n  <h5 class=\"card-title mb-3\">\u0935\u093f\u0936\u0947\u0937 \u0930\u0941\u092a \u0938\u0947 \u092a\u094d\u0930\u0926\u0930\u094d\u0936\u093f\u0924 \u0938\u0949\u092b\u094d\u091f\u0935\u0947\u092f\u0930 \u0909\u092a\u0915\u0930\u0923<\/h5>\r\n\r\n  <div><strong>MTASpec - \u0915\u094d\u0935\u093e\u0902\u091f\u092e \u0930\u0938\u093e\u092f\u0928 \u0935\u093f\u091c\u094d\u091e\u093e\u0928 \u0915\u0947 \u0932\u093f\u090f \u091c\u0940\u092f\u0942\u0906\u0908<\/strong><br>\r\n    \u0915\u0941\u0936\u0932 \u092a\u094d\u0930\u093e\u0930\u0902\u092d\u093f\u0915 \u0915\u0902\u092a\u0928 \u0938\u094d\u092a\u0947\u0915\u094d\u091f\u094d\u0930\u093e \u0917\u0923\u0928\u093e \u0915\u0947 \u0932\u093f\u090f \u0935\u093f\u0916\u0902\u0921\u0928-\u0906\u0927\u093e\u0930\u093f\u0924 \u0906\u0923\u0935\u093f\u0915 \u091f\u0947\u0932\u0930\u093f\u0902\u0917 \u0915\u093e \u0909\u092a\u092f\u094b\u0917 \u0915\u0930\u0915\u0947 \u0935\u093f\u0915\u0938\u093f\u0924 \u0915\u093f\u092f\u093e \u0917\u092f\u093e\u0964 \u0917\u0949\u0938\u093f\u092f\u0928 \u0938\u0942\u091f \u0915\u094b \u090f\u0915\u0940\u0915\u0943\u0924 \u0915\u0930\u0924\u093e \u0939\u0948 \u0914\u0930 \u0932\u093f\u0928\u0915\u094d\u0938 \u092a\u0930 \u091a\u0932\u0924\u093e \u0939\u0948\u0964<br>\r\n    <em>[\u092a\u094d\u0930\u094b. \u0936\u094d\u0930\u0940\u0927\u0930 \u0917\u0926\u094d\u0930\u0947, \u090f\u0938\u092a\u0940\u092a\u0940\u092f\u0942]<\/em>\r\n  <\/div><br>\r\n\r\n  <div><strong>AMDKIIT \u2013 \u0930\u0948\u0916\u093f\u0915 \u0938\u094d\u0915\u0947\u0932\u093f\u0902\u0917 \u0921\u0940\u090f\u092b\u091f\u0940<\/strong><br>\r\n    \u0939\u093e\u0907\u092c\u094d\u0930\u093f\u0921 \u0921\u0940\u090f\u092b\u091f\u0940-\u0906\u0927\u093e\u0930\u093f\u0924 \u090f\u092e\u0921\u0940 \u092a\u094d\u0930\u094b\u0917\u094d\u0930\u093e\u092e, \u091c\u094b libXC \u090f\u0915\u0940\u0915\u0930\u0923 \u0915\u0947 \u0938\u093e\u0925 \u0938\u092e\u0924\u0932-\u0924\u0930\u0902\u0917 \u0914\u0930 \u091b\u0926\u094d\u092e-\u0935\u093f\u092d\u0935 \u0917\u0923\u0928\u093e\u0913\u0902 \u0915\u093e \u0938\u092e\u0930\u094d\u0925\u0928 \u0915\u0930\u0924\u093e \u0939\u0948\u0964 \u090f\u0915\u094d\u0938\u093e\u0938\u094d\u0915\u0947\u0932 \u092a\u094d\u0930\u0923\u093e\u0932\u093f\u092f\u094b\u0902 \u0915\u0947 \u0932\u093f\u090f \u0921\u093f\u091c\u093c\u093e\u0907\u0928 \u0915\u093f\u092f\u093e \u0917\u092f\u093e\u0964<br>\r\n    <em>[\u092a\u094d\u0930\u094b. \u0928\u093f\u0936\u093e\u0902\u0924 \u0928\u093e\u092f\u0930, \u0906\u0908\u0906\u0908\u091f\u0940 \u0915\u093e\u0928\u092a\u0941\u0930]<\/em>\r\n  <\/div><br>\r\n\r\n  <div><strong>\u090f\u090f\u0928\u090f\u0928-\u0938\u0940\u0906\u0908 - \u092c\u0939\u0941-\u0938\u0902\u0926\u0930\u094d\u092d \u0915\u094d\u092f\u0942\u090f\u092e\/\u090f\u092e\u090f\u092e \u0935\u093f\u0927\u093f\u092f\u093e\u0902<\/strong><br>\r\n    \u091c\u091f\u093f\u0932 \u092a\u094d\u0930\u0923\u093e\u0932\u093f\u092f\u094b\u0902 \u092e\u0947\u0902 \u0906\u0935\u0947\u0936 \u0938\u094d\u0925\u093e\u0928\u093e\u0902\u0924\u0930\u0923 \u0914\u0930 \u0909\u0924\u094d\u0924\u0947\u091c\u093f\u0924 \u0905\u0935\u0938\u094d\u0925\u093e\u0913\u0902 \u0915\u0947 \u0932\u093f\u090f \u0915\u094d\u0935\u093e\u0902\u091f\u092e \u092f\u093e\u0902\u0924\u094d\u0930\u093f\u0915\u0940 \u0914\u0930 \u092e\u0936\u0940\u0928 \u0932\u0930\u094d\u0928\u093f\u0902\u0917 \u0915\u094b \u0938\u0902\u092f\u094b\u091c\u093f\u0924 \u0915\u0930\u0924\u093e \u0939\u0948\u0964<br>\r\n    <em>[\u092a\u094d\u0930\u094b. \u0926\u0947\u092c\u093e\u0936\u094d\u0930\u0940 \u0918\u094b\u0937, \u0906\u0908\u090f\u0938\u0940\u090f\u0938 \u0915\u094b\u0932\u0915\u093e\u0924\u093e]<\/em>\r\n  <\/div><br>\r\n\r\n  <div><strong>LITESOPH \u2013 \u0909\u0924\u094d\u0924\u0947\u091c\u093f\u0924 \u0905\u0935\u0938\u094d\u0925\u093e \u0917\u0924\u093f\u0936\u0940\u0932\u0924\u093e \u091f\u0942\u0932\u0915\u093f\u091f<\/strong><br>\r\n    OCTOPUS, GPAW, \u0914\u0930 NWChem \u091c\u0948\u0938\u0947 TDDFT \u0915\u094b\u0921 \u0915\u093e \u0909\u092a\u092f\u094b\u0917 \u0915\u0930\u0915\u0947 \u092b\u094b\u091f\u094b-\u092a\u094d\u0930\u0947\u0930\u093f\u0924 \u0918\u091f\u0928\u093e\u0913\u0902 \u0915\u0947 \u0905\u0928\u0941\u0915\u0930\u0923 \u0915\u0947 \u0932\u093f\u090f \u092a\u093e\u092f\u0925\u0928-\u0906\u0927\u093e\u0930\u093f\u0924 \u091f\u0942\u0932\u0915\u093f\u091f\u0964<br>\r\n    <em>[\u092a\u094d\u0930\u094b. \u0935\u0930\u0926\u0930\u093e\u091c\u0928 \u0936\u094d\u0930\u0940\u0928\u093f\u0935\u093e\u0938\u0928, \u0906\u0908\u0906\u0908\u090f\u0938\u0908\u0906\u0930 \u092d\u094b\u092a\u093e\u0932]<\/em>\r\n  <\/div><br>\r\n\r\n  <div><strong>\u00b52Mech \u2013 \u092c\u0939\u0941\u0938\u094d\u0924\u0930\u0940\u092f \u0938\u0942\u0915\u094d\u0937\u094d\u092e \u0938\u0902\u0930\u091a\u0928\u093e \u092e\u0949\u0921\u0932\u093f\u0902\u0917<\/strong><br>\r\n    \u091a\u0930\u0923 \u092a\u0930\u093f\u0935\u0930\u094d\u0924\u0928 \u0915\u0947 \u0926\u094c\u0930\u093e\u0928 \u092a\u094d\u0930\u0924\u094d\u092f\u093e\u0938\u094d\u0925 \u0917\u0941\u0923\u094b\u0902 \u0915\u0940 \u092d\u0935\u093f\u0937\u094d\u092f\u0935\u093e\u0923\u0940 \u0915\u0947 \u0932\u093f\u090f \u092a\u0930\u092e\u093e\u0923\u0941 \u0914\u0930 \u091a\u0930\u0923-\u0915\u094d\u0937\u0947\u0924\u094d\u0930 \u0938\u093f\u092e\u0941\u0932\u0947\u0936\u0928 \u0915\u094b \u090f\u0915\u0940\u0915\u0943\u0924 \u0915\u0930\u0924\u093e \u0939\u0948\u0964<br>\r\n    <em>[\u092a\u094d\u0930\u094b. \u0930\u093e\u091c\u0926\u0940\u092a \u092e\u0941\u0916\u0930\u094d\u091c\u0940, \u0906\u0908\u0906\u0908\u091f\u0940 \u0915\u093e\u0928\u092a\u0941\u0930]<\/em>\r\n  <\/div>\r\n\r\n  <div>&nbsp;<\/div>\r\n  <hr \/>\r\n  <div>&nbsp;<\/div>\r\n\r\n  <h5 class=\"card-title mb-3\">\u092e\u0939\u0924\u094d\u0935\u092a\u0942\u0930\u094d\u0923 \u0924\u093f\u0925\u093f\u092f\u093e\u0902<\/h5>\r\n  <ul>\r\n    <li class=\"translation-block\"><strong>\u092a\u0902\u091c\u0940\u0915\u0930\u0923 \u092a\u094d\u0930\u093e\u0930\u0902\u092d:<\/strong> 9 \u0938\u093f\u0924\u0902\u092c\u0930, 2023<\/li>\r\n    <li class=\"translation-block\"><strong>\u092a\u0902\u091c\u0940\u0915\u0930\u0923 \u0915\u0940 \u0905\u0902\u0924\u093f\u092e \u0924\u093f\u0925\u093f:<\/strong> 18 \u0938\u093f\u0924\u0902\u092c\u0930, 2023<\/li>\r\n    <li class=\"translation-block\"><strong>\u092a\u094d\u0930\u0924\u093f\u092d\u093e\u0917\u093f\u092f\u094b\u0902 \u0915\u0940 \u0918\u094b\u0937\u0923\u093e:<\/strong> 19 \u0938\u093f\u0924\u0902\u092c\u0930, 2023<\/li>\r\n    <li class=\"translation-block\"><strong>\u0915\u093e\u0930\u094d\u092f\u0936\u093e\u0932\u093e \u0915\u0940 \u0924\u093f\u0925\u093f\u092f\u093e\u0902:<\/strong> 9\u201311 \u0905\u0915\u094d\u091f\u0942\u092c\u0930, 2023<\/li>\r\n  <\/ul>\r\n<\/div>\r\n\r\n<div class=\"card-footer text-muted\">\r\n  <div class=\"translation-block\">\u0938\u094d\u0925\u093e\u0928: \u092a\u0941\u0923\u0947 \u0914\u0930 \u0911\u0928\u0932\u093e\u0907\u0928 |\n<a href=\"https:\/\/forms.gle\/g54xoa2ZdUw2iUqy7\" target=\"_blank\" rel=\"noopener\">\u092f\u0939\u093e\u0901 \u092a\u0902\u091c\u0940\u0915\u0930\u0923 \u0915\u0930\u0947\u0902<\/a><\/div>\r\n<\/div>","protected":false},"excerpt":{"rendered":"Workshop on Materials and Computational Chemistry Applications on HPC Platform Organized under the National Supercomputing Mission (NSM) Event Details Date: Monday, October 9, 2023 to Wednesday, October 11, 2023 Venue: Pune and Online Contact: mscc-workshop@cdac.in Registration: Google Form &nbsp; &nbsp; About the Workshop This workshop showcases software developed under NSM for computational studies of atoms, &hellip;","protected":false},"author":1,"featured_media":120,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"inline_featured_image":false,"footnotes":""},"categories":[19],"tags":[],"class_list":["post-9276","post","type-post","status-publish","format-standard","has-post-thumbnail","hentry","category-events"],"_links":{"self":[{"href":"https:\/\/nsmindia.in\/hi\/wp-json\/wp\/v2\/posts\/9276","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/nsmindia.in\/hi\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/nsmindia.in\/hi\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/nsmindia.in\/hi\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/nsmindia.in\/hi\/wp-json\/wp\/v2\/comments?post=9276"}],"version-history":[{"count":2,"href":"https:\/\/nsmindia.in\/hi\/wp-json\/wp\/v2\/posts\/9276\/revisions"}],"predecessor-version":[{"id":9495,"href":"https:\/\/nsmindia.in\/hi\/wp-json\/wp\/v2\/posts\/9276\/revisions\/9495"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/nsmindia.in\/hi\/wp-json\/wp\/v2\/media\/120"}],"wp:attachment":[{"href":"https:\/\/nsmindia.in\/hi\/wp-json\/wp\/v2\/media?parent=9276"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/nsmindia.in\/hi\/wp-json\/wp\/v2\/categories?post=9276"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/nsmindia.in\/hi\/wp-json\/wp\/v2\/tags?post=9276"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}