{"id":106563,"date":"2023-10-05T14:09:45","date_gmt":"2023-10-05T18:09:45","guid":{"rendered":"https:\/\/www.simonsfoundation.org\/?page_id=106563"},"modified":"2025-05-22T16:26:29","modified_gmt":"2025-05-22T20:26:29","slug":"initiative-for-computational-catalysis","status":"publish","type":"page","link":"https:\/\/www.simonsfoundation.org\/flatiron\/initiative-for-computational-catalysis\/","title":{"rendered":"Initiative for Computational Catalysis"},"content":{"rendered":"","protected":false},"excerpt":{"rendered":"","protected":false},"author":21,"featured_media":112589,"parent":82,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"templates\/flatiron_group_landing.php","meta":{"_acf_changed":false,"_relevanssi_hide_post":"","_relevanssi_hide_content":"","_relevanssi_pin_for_all":"","_relevanssi_pin_keywords":"","_relevanssi_unpin_keywords":"","_relevanssi_related_keywords":"","_relevanssi_related_include_ids":"","_relevanssi_related_exclude_ids":"","_relevanssi_related_no_append":"","_relevanssi_related_not_related":"","_relevanssi_related_posts":"","_relevanssi_noindex_reason":"","footnotes":""},"class_list":["post-106563","page","type-page","status-publish","has-post-thumbnail","hentry"],"acf":{"block_editor":[{"acf_fc_layout":"two_column_text","large_text":"The Initiative for Computational Catalysis is a new effort within the Flatiron Institute dedicated to the development and application of computational techniques enabling the rational design of more efficient and more affordable catalysts. ","small_text":"The new theoretical developments will be systematically benchmarked against existing experimental data in the literature and in collaboration with experimental partner groups for previously unexplored directions. Technical advances in fundamental physical descriptions, mathematical structure, and software implementations will be greatly enhanced through interactions with other members of the Flatiron Institute \r\n\r\nThe scientific scope of the Initiative is structured in two phases motivated by grand-challenge applications necessitating methodological developments. The first is a validation stage, but one for which demonstrated quantitative accuracy would be a widely recognized game-changer. The second is a more ambitious extension to more challenging theoretical scenarios with fewer guiding principles, but which represents the future of catalysis in a green economy. "}]},"_links":{"self":[{"href":"https:\/\/www.simonsfoundation.org\/wp-json\/wp\/v2\/pages\/106563"}],"collection":[{"href":"https:\/\/www.simonsfoundation.org\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.simonsfoundation.org\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.simonsfoundation.org\/wp-json\/wp\/v2\/users\/21"}],"replies":[{"embeddable":true,"href":"https:\/\/www.simonsfoundation.org\/wp-json\/wp\/v2\/comments?post=106563"}],"version-history":[{"count":11,"href":"https:\/\/www.simonsfoundation.org\/wp-json\/wp\/v2\/pages\/106563\/revisions"}],"predecessor-version":[{"id":125059,"href":"https:\/\/www.simonsfoundation.org\/wp-json\/wp\/v2\/pages\/106563\/revisions\/125059"}],"up":[{"embeddable":true,"href":"https:\/\/www.simonsfoundation.org\/wp-json\/wp\/v2\/pages\/82"}],"wp:featuredmedia":[{"embeddable":true,"href":"https:\/\/www.simonsfoundation.org\/wp-json\/wp\/v2\/media\/112589"}],"wp:attachment":[{"href":"https:\/\/www.simonsfoundation.org\/wp-json\/wp\/v2\/media?parent=106563"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}