MRI: Acquisition of High Performance Computers for the Molecular Education and Research Consortium in Undergraduate computational chemistRY (MERCURY)

MRI：为本科计算化学分子教育和研究联盟 (MERCURY) 采购高性能计算机

• 批准号: 1229354
• 负责人: George Shields
• 金额: $ 20万
• 依托单位: Bucknell University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2012
• 资助国家: 美国
• 起止时间: 2012-09-01 至 2015-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1229354&HistoricalAwards=false
• 关键词: MRI; Acquisition; Performance; Computers; Molecular

With this award from the Major Research Instrumentation Program, Professor George Shields from Bucknell University and collaborators from a variety of primarily undergraduate institutions that include Maria Gomez (Mount Holyoke), Carol Parish (U of Richmond), George Shields (Hamilton), Marc Zimmer (Connecticut), Maria Nagan (Truman State), Tricia Shepherd (Westminster), Mauricio Cafiero (Rhodes), Kelling Donald (Richmond), Becky Eggimann (Wheaton), Daqing Gao (Central State), Clifford Padgett (Armstrong Atlantic State U), Eric Patterson (Truman State), Adam Van Wynsberghe (Hamilton), Kelly Anderson (Roanoke College), Sudeep Bhattacharyay (U. Wisconsin-Eau Clare), Jim Phillips (U. Wisconsin-Eau Clare), and Aimee Tomlinson (North Georgia College) will acquire a computer cluster with an estimated 8 teraFLOPS of processing power and 14 terabytes of additional disk space. The proposal is aimed at enhancing research training and education at all levels, especially in areas such as materials science, biochemistry, clusters, and physical organic chemistry.Computer systems and clusters of computers are used by chemists and biochemists to investigate reactions and the properties of chemicals and materials using theoretical models and programs. The computer calculations are used, often along with experimental data, to model and better understand many types of complex chemical and biological phenomena. They are also used to predict results and guide experiments. This resource will be used in research and in course work by undergraduate students and faculty at several institutions training them in computational chemistry methodology with a modern computer system. Besides the home institution there will be participation of students and faculty from a Molecular Education and Research Consortium in Undergraduate computational chemistRY commonly denominated as MERCURY.

With this award from the Major Research Instrumentation Program, Professor George Shields from Bucknell University and collaborators from a variety of primarily undergraduate institutions that include Maria Gomez (Mount Holyoke), Carol Parish (U of Richmond), George Shields (Hamilton), Marc Zimmer (Connecticut), Maria Nagan (Truman State), Tricia Shepherd (Westminster), Mauricio Cafiero （罗德斯），凯林·唐纳德（里士满），贝基·埃吉曼（惠顿），戴奎·高（中央州），克利福德·帕吉特（Clifford Padgett）（阿姆斯特朗大西洋州U），埃里克·帕特森（Eric Patterson），埃里克·帕特森（Eric Patterson），亚当·范·温斯伯格（Adam van Wynsberghe（Adam van Wynsberghe），汉密尔顿（Hamilton）威斯康星 - 克莱尔（Wisconsin-Eau Clare）和艾米·汤姆林森（Aimee Tomlinson）（北佐治亚学院）将获得一个计算机群，估计具有8台处理功率和14个额外的磁盘空间。该提案旨在增强各个级别的研究培训和教育，尤其是在材料科学，生物化学，群集和物理有机化学等领域。通常将计算机计算与实验数据一起模拟并更好地理解许多类型的复杂化学和生物学现象。它们还用于预测结果和指导实验。该资源将用于研究中，并在本科生和教职员工中使用现代计算机系统对他们进行计算化学方法的培训。除了家庭机构外，还将在本科计算化学的分子教育和研究联盟中参加学生和教职员工，通常被称为汞。