{"id":120,"date":"2024-12-13T20:26:45","date_gmt":"2024-12-13T20:26:45","guid":{"rendered":"https:\/\/cermm.concordia.ca\/ghp\/peregrine\/"},"modified":"2025-07-22T15:05:29","modified_gmt":"2025-07-22T15:05:29","slug":"peregrine","status":"publish","type":"page","link":"https:\/\/cermm.concordia.ca\/ghp\/","title":{"rendered":"Home"},"content":{"rendered":"\t\t<div data-elementor-type=\"wp-page\" data-elementor-id=\"120\" class=\"elementor elementor-120\">\n\t\t\t\t<div class=\"elementor-element elementor-element-c054102 e-flex e-con-boxed e-con e-parent\" data-id=\"c054102\" data-element_type=\"container\" data-settings=\"{&quot;background_background&quot;:&quot;gradient&quot;}\">\n\t\t\t\t\t<div class=\"e-con-inner\">\n\t\t<div class=\"elementor-element elementor-element-71e398c e-con-full e-flex e-con e-child\" data-id=\"71e398c\" data-element_type=\"container\">\n\t\t<div class=\"elementor-element elementor-element-19ea4b7 e-con-full e-flex e-con e-child\" data-id=\"19ea4b7\" data-element_type=\"container\">\n\t\t\t\t<div class=\"elementor-element elementor-element-eb5e810 elementor-widget elementor-widget-text-editor\" data-id=\"eb5e810\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t<h4><span style=\"color: #000000;\">Chemical Modeling in the Materials, Life and Environmental Sciences<\/span><\/h4><div>\u00a0<\/div><p><span style=\"color: #000000;\">Ongoing advances and breakthroughs in synthesis and experimental characterization techniques yield increasing detailed molecular-level information about chemical processes that is becoming increasingly difficult to decipher without the guidance of modeling. Computer simulations have thus rapidly been permeating all branches of chemistry, not only because they may help interpret convoluted experimental data, but also because they ultimately allow for further educated experimental design over time-consuming and costly trial-and-error approaches. Our research program centers on the development and application of state-of-the-art molecular dynamics and quantum chemistry techniques for realistic simulations of chemical processes, accelerated by artificial intelligence, enabled by high-performance computing and typically validated against top-notch experiments. Our research in chemical modeling across the materials, life and environmental sciences entails applications such as wear-resistant transition metal-nitride thin films and nanoparticles for opto-electronics, carbon-based molecular electronics, magnetic materials for spin catalysis, guest molecule encapsulation, membrane permeation, delivery of ligands and drugs to porous protein active sites, protein dynamics and reactions, synthetic peptide vaccines, therapeutics development and formulation, small-molecule structure and reactivity, RNA structure fundamentals, photochemistry of ionic clusters as precursors of the solvated electron or models for DNA radiation damage, structure and formation thermodynamics of seeded droplets, toxic metal atmospheric chemistry, environmental impact assessment of household chemicals and pesticides. We maintain intensive collaboration with renown experimentalists worldwide, as connection with experiment is crucial for assessing the reliability of our computer simulations and theoretical models, which, in turn can be used to improve our fundamental understanding of chemistry.<\/span><\/p>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t<div class=\"elementor-element elementor-element-d41f704 e-con-full e-flex e-con e-child\" data-id=\"d41f704\" data-element_type=\"container\">\n\t\t<div class=\"elementor-element elementor-element-625b92b e-con-full e-flex e-con e-child\" data-id=\"625b92b\" data-element_type=\"container\">\n\t\t\t\t<div class=\"elementor-element elementor-element-505b47c elementor-widget elementor-widget-image\" data-id=\"505b47c\" data-element_type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t<img fetchpriority=\"high\" decoding=\"async\" width=\"987\" height=\"424\" src=\"https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/images_large_an4c02936_0007.jpeg\" class=\"attachment-large size-large wp-image-232\" alt=\"\" srcset=\"https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/images_large_an4c02936_0007.jpeg 987w, https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/images_large_an4c02936_0007-300x129.jpeg 300w, https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/images_large_an4c02936_0007-768x330.jpeg 768w\" sizes=\"(max-width: 987px) 100vw, 987px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-0257be6 elementor-widget elementor-widget-image\" data-id=\"0257be6\" data-element_type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t<img decoding=\"async\" width=\"1024\" height=\"710\" src=\"https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/1-s2.0-S0010482524002798-ga1_lrg-1024x710.jpg\" class=\"attachment-large size-large wp-image-231\" alt=\"\" srcset=\"https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/1-s2.0-S0010482524002798-ga1_lrg-1024x710.jpg 1024w, https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/1-s2.0-S0010482524002798-ga1_lrg-300x208.jpg 300w, https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/1-s2.0-S0010482524002798-ga1_lrg-768x532.jpg 768w, https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/1-s2.0-S0010482524002798-ga1_lrg.jpg 1278w\" sizes=\"(max-width: 1024px) 100vw, 1024px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<div class=\"elementor-element elementor-element-ad05c1f elementor-widget elementor-widget-image\" data-id=\"ad05c1f\" data-element_type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t<img decoding=\"async\" width=\"948\" height=\"562\" src=\"https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/images_large_jp0c09896_0007.jpeg\" class=\"attachment-large size-large wp-image-234\" alt=\"\" srcset=\"https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/images_large_jp0c09896_0007.jpeg 948w, https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/images_large_jp0c09896_0007-300x178.jpeg 300w, https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/images_large_jp0c09896_0007-768x455.jpeg 768w\" sizes=\"(max-width: 948px) 100vw, 948px\" \/>\t\t\t\t\t\t\t\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t<div class=\"elementor-element elementor-element-88a5344 e-con-full e-flex e-con e-child\" data-id=\"88a5344\" data-element_type=\"container\">\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t<div class=\"elementor-element elementor-element-70f9039 e-con-full e-flex e-con e-child\" data-id=\"70f9039\" data-element_type=\"container\">\n\t\t<div class=\"elementor-element elementor-element-6e52d85 e-con-full e-flex e-con e-child\" data-id=\"6e52d85\" data-element_type=\"container\">\n\t\t\t\t<div class=\"elementor-element elementor-element-b932bf4 elementor-widget elementor-widget-text-editor\" data-id=\"b932bf4\" data-element_type=\"widget\" data-widget_type=\"text-editor.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t<div class=\"text-collapsible__content\"><h5><span style=\"color: #000000;\">Research interests<\/span><\/h5><ul><li><span style=\"color: #000000;\">Physical, Theoretical and Computational Chemistry<\/span><\/li><li><span style=\"color: #000000;\">Chemical Physics and Biology<\/span><\/li><li><span style=\"color: #000000;\">Materials Science and Engineering<\/span><\/li><li><span style=\"color: #000000;\">Environmental Chemistry<\/span><\/li><li><span style=\"color: #000000;\">Therapeutics Development<\/span><\/li><li><span style=\"color: #000000;\">Artificial Intelligence<\/span><\/li><li><span style=\"color: #000000;\">Quantum Computing<\/span><\/li><\/ul><\/div>\t\t\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t\t\t<\/div>\n\t\t<div class=\"elementor-element elementor-element-c52c342 e-con-full e-flex e-con e-child\" data-id=\"c52c342\" data-element_type=\"container\">\n\t\t\t\t<div class=\"elementor-element elementor-element-960ff5d elementor-widget elementor-widget-image\" data-id=\"960ff5d\" data-element_type=\"widget\" data-widget_type=\"image.default\">\n\t\t\t\t<div class=\"elementor-widget-container\">\n\t\t\t\t\t\t\t\t\t\t\t\t\t<img loading=\"lazy\" decoding=\"async\" width=\"512\" height=\"512\" src=\"https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/file.7992.512.jpg\" class=\"attachment-large size-large wp-image-241\" alt=\"\" srcset=\"https:\/\/cermm.concordia.ca\/ghp\/wp-content\/uploads\/2024\/12\/file.7992.512.jpg 512w, 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[&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"elementor_header_footer","meta":{"_uag_custom_page_level_css":"","site-sidebar-layout":"no-sidebar","site-content-layout":"","ast-site-content-layout":"full-width-container","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":"disabled","ast-breadcrumbs-content":"","ast-featured-img":"disabled","footer-sml-layout":"","theme-transparent-header-meta":"","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 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