{"id":630,"date":"2014-07-28T23:23:55","date_gmt":"2014-07-28T23:23:55","guid":{"rendered":"http:\/\/grabow.chee.uh.edu\/?page_id=630"},"modified":"2024-12-18T09:10:35","modified_gmt":"2024-12-18T15:10:35","slug":"front-page","status":"publish","type":"page","link":"https:\/\/grabow.chee.uh.edu\/","title":{"rendered":""},"content":{"rendered":"<p>High performance, functional materials are a cornerstone for advanced manufacturing and innovative technologies. In particular, the Houston area is home to many chemical manufacturers who use catalytic materials to intensify their processes by making them more efficient, selective and less resource consuming. Catalysts are also used to treat vehicle exhaust, treat waste water and enable renewable energy technologies. The electrification of transportation, and in the long term, possibly the chemical industry, may also require innovative and safe electrochemical storage solutions. Finally, existing catalysts may be pushed to even higher performance by imposing dynamically changing reaction conditions, which is particularly interesting for decentralized, modular reactors.<\/p>\n<p style=\"text-align: center;\"><iframe loading=\"lazy\" src=\"\/\/www.youtube.com\/embed\/_wZLKunnxfU\" width=\"560\" height=\"314\" allowfullscreen=\"allowfullscreen\"><\/iframe><\/p>\n<p style=\"text-align: center;\">Grabow group introduction video<\/p>\n<p>Our group integrates electronic structure simulations, transient kinetic models and machine learning approaches to develop computational workflows that help in discovering and designing novel catalysts with tailored properties or enhance catalytic performance by imposing <a href=\"https:\/\/stories.uh.edu\/2021-Grabow-doe-acn\/index.html\" target=\"_blank\" rel=\"noopener\">dynamic operating conditions<\/a>. We also conduct transient kinetic experiments in a <a href=\"https:\/\/grabow.chee.uh.edu\/?page_id=3698\">Temporal Analysis of Products (TAP) reactor<\/a> to validate model predictions and to develop dynamic processes . Designing novel materials in silico is an exciting avenue that aligns well with the multi-agency Materials Genome Initiative and current interests to leverage artificial intelligence for data-driven material discoveries that avoid costly trial-and-error experimentation. A recent example of a computational catalyst discovery is a new cost-effective metal alloy catalyst designed for diesel exhaust treatment, for which laboratory experiments show high CO oxidation activity below 150\u00b0C and no inhibition by other pollutants.<\/p>\n<p><a href=\"https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/Group-Competencies.png\"><img loading=\"lazy\" decoding=\"async\" class=\"alignleft size-large wp-image-4376\" src=\"https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/Group-Competencies-1024x461.png\" alt=\"\" width=\"1024\" height=\"461\" srcset=\"https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/Group-Competencies-1024x461.png 1024w, https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/Group-Competencies-300x135.png 300w, https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/Group-Competencies-768x345.png 768w, https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/Group-Competencies.png 1356w\" sizes=\"auto, (max-width: 1024px) 100vw, 1024px\" \/><\/a><\/p>\n\n\n<p>\u00a0<\/p>\n<p>The necessary computational resources for our research is provided by our 76-node\/1,824 core cluster\u00a0<em>Juniper<\/em>\u00a0using Intel Xeon Silver 4116 Skylake generation CPUs. Our group also benefits from shared computing facilities at UH, maintained and managed by the\u00a0<a href=\"https:\/\/uh.edu\/rcdc\/getting-started\/\" target=\"_blank\" rel=\"noopener\">Research Computing and Data Core (RCDC)<\/a>\u00a0under the\u00a0<a href=\"https:\/\/hpedsi.uh.edu\/\" target=\"_blank\" rel=\"noopener\">HP Enterprise \u2013 Data Science Institute (HPE-DSI)<\/a>. The newest system,\u00a0<a href=\"https:\/\/uh.edu\/rcdc\/resources\/hpc\/carya\/\" target=\"_blank\" rel=\"noopener\"><em>Carya<\/em><\/a>, has 9,984 Intel Xeon G6252 CPU cores and 327,680 Nvidia V100 GPU cores integrated within 188 compute and 20 GPU nodes.\u00a0<a href=\"https:\/\/uh.edu\/rcdc\/resources\/hpc\/carya\/\" target=\"_blank\" rel=\"noopener\"><em>Carya<\/em><\/a>\u00a0has 1.5 PB of shared hard-disk based storage and 122 TB of shared flash storage space. RCDC also provides access to\u00a0<a href=\"https:\/\/uh.edu\/rcdc\/resources\/hpc\/sabine\/\" target=\"_blank\" rel=\"noopener\"><em>Sabine<\/em><\/a>\u00a0(169 compute nodes with 5,704 CPU cores and 12 GPU nodes) and\u00a0<a href=\"https:\/\/uh.edu\/rcdc\/resources\/hpc\/opuntia\/\" target=\"_blank\" rel=\"noopener\"><em>Opuntia<\/em><\/a>\u00a0(80 compute nodes with 1,860 CPU cores, 4 GPU nodes, and 3 large memory nodes.<\/p>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity is-style-wide\"\/>\n\n\n\n<p class=\"has-text-align-center has-vivid-red-color has-white-background-color has-text-color has-background has-medium-font-size\"><strong>Our Group is also an active member in the following centers:<\/strong><\/p>\n\n\n\n<div class=\"wp-block-media-text alignwide has-media-on-the-right is-stacked-on-mobile has-background\" style=\"background:linear-gradient(135deg,rgb(254,205,165) 44%,rgb(254,45,45) 90%,rgb(107,0,62) 100%);grid-template-columns:auto 35%\"><div class=\"wp-block-media-text__content\">\n<p class=\"has-white-background-color has-background\"><strong>The <a rel=\"noreferrer noopener\" href=\"https:\/\/cpec.umn.edu\/\" target=\"_blank\">Center for Programmable Energy Catalysis (CPEC)<\/a><\/strong><\/p>\n<\/div><figure class=\"wp-block-media-text__media\"><a href=\"https:\/\/cpec.umn.edu\/\" target=\"_blank\" rel=\"noreferrer noopener\"><img loading=\"lazy\" decoding=\"async\" width=\"458\" height=\"173\" src=\"https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/Screen-Shot-2022-09-13-at-11.54.43-AM-1.png\" alt=\"\" class=\"wp-image-4413 size-full\" srcset=\"https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/Screen-Shot-2022-09-13-at-11.54.43-AM-1.png 458w, https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/Screen-Shot-2022-09-13-at-11.54.43-AM-1-300x113.png 300w\" sizes=\"auto, (max-width: 458px) 100vw, 458px\" \/><\/a><\/figure><\/div>\n\n\n\n<div class=\"wp-block-media-text alignwide has-media-on-the-right is-stacked-on-mobile has-background\" style=\"background:linear-gradient(135deg,rgb(254,205,165) 44%,rgb(254,45,45) 90%,rgb(107,0,62) 100%);grid-template-columns:auto 20%\"><div class=\"wp-block-media-text__content\">\n<p class=\"has-white-background-color has-background\"><strong><\/strong><strong>The <a rel=\"noreferrer noopener\" href=\"https:\/\/www.dc-muse.org\/\" target=\"_blank\">Center for Decarbonizing Chemical Manufacturing Using Sustainable Electrification (DC-MUSE)<\/a><\/strong><\/p>\n<\/div><figure class=\"wp-block-media-text__media\"><a href=\"https:\/\/www.dc-muse.org\/\" target=\"_blank\" rel=\"noreferrer noopener\"><img loading=\"lazy\" decoding=\"async\" width=\"126\" height=\"88\" src=\"https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/Screen-Shot-2022-09-13-at-11.54.56-AM.png\" alt=\"\" class=\"wp-image-4410 size-full\"\/><\/a><\/figure><\/div>\n\n\n\n<div class=\"wp-block-media-text alignwide has-media-on-the-right is-stacked-on-mobile has-background\" style=\"background:linear-gradient(135deg,rgb(254,205,165) 44%,rgb(254,45,45) 90%,rgb(107,0,62) 100%);grid-template-columns:auto 20%\"><div class=\"wp-block-media-text__content\">\n<p class=\"has-white-background-color has-background\"><strong><\/strong><strong>The <a rel=\"noreferrer noopener\" href=\"https:\/\/www.tcsuh.com\/\" target=\"_blank\">Texas Center for Superconductivity at the University of Houston (TcSUH)<\/a><\/strong><\/p>\n<\/div><figure class=\"wp-block-media-text__media\"><a href=\"https:\/\/www.tcsuh.com\/\" target=\"_blank\" rel=\"noreferrer noopener\"><img loading=\"lazy\" decoding=\"async\" width=\"225\" height=\"225\" src=\"https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/download-2.png\" alt=\"\" class=\"wp-image-4412 size-full\" srcset=\"https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/download-2.png 225w, https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2022\/09\/download-2-150x150.png 150w\" sizes=\"auto, (max-width: 225px) 100vw, 225px\" \/><\/a><\/figure><\/div>\n\n\n\n<hr class=\"wp-block-separator has-alpha-channel-opacity is-style-wide\"\/>\n\n\n\n<figure class=\"wp-block-image size-large\"><a href=\"https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2023\/10\/DSC3726-1-scaled.jpg\"><img loading=\"lazy\" decoding=\"async\" width=\"2560\" height=\"1921\" src=\"https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2023\/10\/DSC3726-1-edited-scaled.jpg\" alt=\"\" class=\"wp-image-4598\" srcset=\"https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2023\/10\/DSC3726-1-edited-scaled.jpg 2560w, https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2023\/10\/DSC3726-1-edited-300x225.jpg 300w, https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2023\/10\/DSC3726-1-edited-1024x768.jpg 1024w, https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2023\/10\/DSC3726-1-edited-768x576.jpg 768w, https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2023\/10\/DSC3726-1-edited-1536x1152.jpg 1536w, https:\/\/grabow.chee.uh.edu\/wp-content\/uploads\/2023\/10\/DSC3726-1-edited-2048x1536.jpg 2048w\" sizes=\"auto, (max-width: 2560px) 100vw, 2560px\" \/><\/a><figcaption class=\"wp-element-caption\">Professor Lars Grabow (Middle) discussing research ideas with two Postdocs Dr. Richard Tran (Right) and Dr. Shengguang Wang (Left)<\/figcaption><\/figure>\n\n\n","protected":false},"excerpt":{"rendered":"<p>High performance, functional materials are a cornerstone for advanced manufacturing and innovative technologies. In particular, the Houston area is home to many chemical manufacturers who use catalytic materials to intensify their processes by making them more efficient, selective and less resource consuming. Catalysts are also used to treat vehicle exhaust, treat waste water and enable [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"open","template":"","meta":{"site-sidebar-layout":"right-sidebar","site-content-layout":"default","ast-site-content-layout":"default","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","ast-disable-related-posts":"","theme-transparent-header-meta":"default","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-opacity":"","overlay-gradient":""}},"footnotes":""},"class_list":["post-630","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/grabow.chee.uh.edu\/index.php?rest_route=\/wp\/v2\/pages\/630","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/grabow.chee.uh.edu\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/grabow.chee.uh.edu\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/grabow.chee.uh.edu\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/grabow.chee.uh.edu\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=630"}],"version-history":[{"count":231,"href":"https:\/\/grabow.chee.uh.edu\/index.php?rest_route=\/wp\/v2\/pages\/630\/revisions"}],"predecessor-version":[{"id":4804,"href":"https:\/\/grabow.chee.uh.edu\/index.php?rest_route=\/wp\/v2\/pages\/630\/revisions\/4804"}],"wp:attachment":[{"href":"https:\/\/grabow.chee.uh.edu\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=630"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}