{"id":418,"date":"2021-01-29T02:37:32","date_gmt":"2021-01-29T02:37:32","guid":{"rendered":"https:\/\/commons.ggc.edu\/chemistry\/?page_id=418"},"modified":"2021-01-29T03:00:35","modified_gmt":"2021-01-29T03:00:35","slug":"ursus-computer-cluster","status":"publish","type":"page","link":"https:\/\/commons.ggc.edu\/chemistry\/research\/ursus-computer-cluster\/","title":{"rendered":"URSUS Computer Cluster"},"content":{"rendered":"

Overview<\/h1>\n

In 2012, the School of Science and Technology obtained a High Performance Computing (HPC) cluster for use by students and faculty. Since the cluster first came on-line, approximately 40 faculty and over 500 students have utilized the instrument to provide computational support of teaching and research STEM objectives in Chemistry, Physics, Mathematics, and Information Technology. The GGC HPC cluster currently has 1 physical head node and 8 physical compute nodes which equates to a parallel computing environment with 144 available processors. The cluster supports faculty and student research in Computational Chemistry (electronic structure modeling, molecular dynamics), Astronomical data frequency analysis, Computational Algebraic Group Theory, Kinetic Monte Carlo simulation, and Domain Decomposition methods for Partial Differential Equations<\/p>\n

Projects<\/h1>\n

CURE Project<\/h2>\n

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As part of a CURE project in Physical Chemistry, students calculated IR spectra for molecules and evaluated the effects of fluorine on stability and affinity of drug molecules.<\/p>\n

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CURE Project<\/h2>\n

Optimization and Molecular Docking<\/h2>\n

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Students perform geometry optimization and\u00a0DNA binding molecular docking studies of 9-aminoacridine derivatives.<\/p>\n

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Overview In 2012, the School of Science and Technology obtained a High Performance Computing (HPC) cluster for use by students and faculty. Since the cluster first came on-line, approximately 40 faculty and over 500 students have utilized the instrument to provide computational support of teaching and research STEM objectives in Chemistry, Physics, Mathematics, and Information Technology. The GGC HPC cluster currently has 1 physical head node and 8 physical compute nodes which equates to a parallel computing environment with 144…<\/p>\n

Read More Read More<\/span><\/a><\/p>\n","protected":false},"author":153,"featured_media":0,"parent":20,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"_exactmetrics_skip_tracking":false,"_exactmetrics_sitenote_active":false,"_exactmetrics_sitenote_note":"","_exactmetrics_sitenote_category":0,"jetpack_post_was_ever_published":false,"footnotes":""},"class_list":["post-418","page","type-page","status-publish","hentry","user-has-not-earned"],"jetpack_sharing_enabled":true,"jetpack_shortlink":"https:\/\/wp.me\/PcrxoI-6K","jetpack-related-posts":[{"id":20,"url":"https:\/\/commons.ggc.edu\/chemistry\/research\/","url_meta":{"origin":418,"position":0},"title":"Research","author":"amallia","date":"March 20, 2019","format":false,"excerpt":"Chemistry faculty at GGC conduct research across a wide range of chemistry subdisciplines. This includes independent faculty research, research with GGC undergraduate students via STEC 4500 projects, and research with high school students both during the school year through local partnerships and during the summer via the ACS Project SEED\u2026","rel":"","context":"Similar post","block_context":{"text":"Similar post","link":""},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":57,"url":"https:\/\/commons.ggc.edu\/chemistry\/research\/physical-chemistry\/","url_meta":{"origin":418,"position":1},"title":"Physical Chemistry","author":"amallia","date":"March 22, 2019","format":false,"excerpt":"Physical chemistry is the study of matter at its most fundamental level. Physical chemistry research can range from the structure and behavior of a single molecule to the kinetics and thermodynamics of chemical reactions at a molecular level. These processes are often investigated through a combination of experiment and theory.\u2026","rel":"","context":"Similar post","block_context":{"text":"Similar post","link":""},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":47,"url":"https:\/\/commons.ggc.edu\/chemistry\/research\/computational-chemistry\/","url_meta":{"origin":418,"position":2},"title":"Computational Chemistry","author":"amallia","date":"March 22, 2019","format":false,"excerpt":"Chemists have been doing computations for centuries, but the field we know today as \u201ccomputational chemistry\u201d is a product of the digital age.\u00a0Computational chemistry\u00a0is a branch of chemistry that uses\u00a0computer simulation\u00a0to assist in solving chemical problems. It uses methods of\u00a0theoretical chemistry, incorporated into efficient\u00a0computer programs, to calculate the structures and\u2026","rel":"","context":"Similar post","block_context":{"text":"Similar post","link":""},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":56,"url":"https:\/\/commons.ggc.edu\/chemistry\/research\/green-chemistry\/","url_meta":{"origin":418,"position":3},"title":"Environmental \/ Green Chemistry","author":"amallia","date":"March 22, 2019","format":false,"excerpt":"Several faculty members at GGC participate in green or environmental chemistry research.\u00a0 Environmental chemistry\u00a0focuses on researching the effects of\u00a0polluting\u00a0chemicals on nature.\u00a0 Green chemistry looks at the design of products and processes that minimize or eliminate the use and generation of hazardous substances.\u00a0 It focuses on the\u00a0environmental impact\u00a0of chemistry, including reducing\u2026","rel":"","context":"Similar post","block_context":{"text":"Similar post","link":""},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":10,"url":"https:\/\/commons.ggc.edu\/chemistry\/","url_meta":{"origin":418,"position":4},"title":"Home Page","author":"amallia","date":"March 20, 2019","format":false,"excerpt":"Welcome to GGC Chemistry Friends of GGC Chemistry: Welcome to the GGC Chemistry Discipline\u2019s Academic Commons, the place to learn more about our growing Chemistry Program of study, our faculty and our students. With input from regional chemical industry leaders, Chemistry Discipline faculty members designed and established the GGC Chemistry\u2026","rel":"","context":"Similar post","block_context":{"text":"Similar post","link":""},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]},{"id":53,"url":"https:\/\/commons.ggc.edu\/chemistry\/research\/materials-chemistry\/","url_meta":{"origin":418,"position":5},"title":"Materials Chemistry","author":"amallia","date":"March 22, 2019","format":false,"excerpt":"Materials chemistry\u00a0involves the use of\u00a0chemistry\u00a0for the design and synthesis of\u00a0materials.\u00a0 The materials are often designed with potentially useful physical characteristics, that may include magnetic, optical, structural, or catalytic properties. Dr. Ajay Mallia Dr. Mallia's research group investigates the design and study of soft materials (gels, liquid crystals and polymers), pharmaceutically\u2026","rel":"","context":"Similar post","block_context":{"text":"Similar post","link":""},"img":{"alt_text":"","src":"","width":0,"height":0},"classes":[]}],"_links":{"self":[{"href":"https:\/\/commons.ggc.edu\/chemistry\/wp-json\/wp\/v2\/pages\/418","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/commons.ggc.edu\/chemistry\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/commons.ggc.edu\/chemistry\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/commons.ggc.edu\/chemistry\/wp-json\/wp\/v2\/users\/153"}],"replies":[{"embeddable":true,"href":"https:\/\/commons.ggc.edu\/chemistry\/wp-json\/wp\/v2\/comments?post=418"}],"version-history":[{"count":0,"href":"https:\/\/commons.ggc.edu\/chemistry\/wp-json\/wp\/v2\/pages\/418\/revisions"}],"up":[{"embeddable":true,"href":"https:\/\/commons.ggc.edu\/chemistry\/wp-json\/wp\/v2\/pages\/20"}],"wp:attachment":[{"href":"https:\/\/commons.ggc.edu\/chemistry\/wp-json\/wp\/v2\/media?parent=418"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}