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

MRI：为本科生计算化学分子教育和研究联盟（MERCURY）采购一台高性能计算机

• 批准号: 1044356
• 负责人: George Shields
• 金额: $ 0.62万
• 依托单位: Bucknell University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2010
• 资助国家: 美国
• 起止时间: 2010-07-01 至 2011-07-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=1044356&HistoricalAwards=false
• 关键词: MRI; Acquisition; Performance; Computer; Molecular

The Department of Chemistry at Hamilton College will acquire a computer and disk space system with this award from the Major Research Instrumentation (MRI) program. It will serve the computational needs of a consortium of users. The consortium known as the Molecular Education and Research Consortium in Undergraduate computational chemistRY (MERCURY) consists of George Shields (Hamilton College), Maria Gomez (Mount Holyoke College), Carol Parish (University of Richmond), Marc Zimmer (Connecticut College), Maria Nagan (Truman State University), Tricia Shepherd (Westminster College), Glênisson de Oliveira (Rhode Island College), Micah Abrams (University of Central Arkansas), Mauricio Cafiero (Rhodes College), Kelling Donald (University of Richmond), Becky Eggimann (Wheaton College), Karl Kirschner (Hamilton College), Daqing Gao (Queensborough Community College of CUNY), and Eric Patterson (Truman State University). The requested instrumentation will be shared among the MERCURY Consortium to investigate problems using techniques common to the theoretical and computational chemistry community.This computer will provide enabling computational technology to understand the properties of matter. The research projects undertaken will utilize computational tools to solve significant problems in atmospheric, biological, inorganic, materials, organic, and physical chemistry. The research will be largely conducted by a diverse body of undergraduates who will receive valuable training using up-to-date computer hardware and computational techniques.

化学系在汉密尔顿学院将获得计算机和磁盘空间系统与此奖项从主要研究仪器（MRI）计划。它将服务于用户联盟的计算需求。该联盟被称为本科计算化学分子教育和研究联盟（MERCURY），由乔治希尔兹组成（汉密尔顿学院），玛丽亚·戈麦斯（蒙特霍利奥克学院），卡罗尔教区（里士满大学），马克·齐默（康涅狄格学院），玛丽亚·纳根（杜鲁门州立大学），特里西娅谢泼德（威斯敏斯特学院），Glênisson de Oliveira（罗得岛学院），米卡艾布拉姆斯（中央阿肯色州大学），毛里西奥·卡菲耶罗（罗兹学院），凯林唐纳德（里士满大学），贝基·埃吉曼惠顿学院（Wheaton College），Karl Kirschner（汉密尔顿学院）、高大庆（纽约市立大学皇后区社区学院）和埃里克·帕特森（杜鲁门州立大学）。 所要求的仪器将在MERCURY集团之间共享，以便使用理论和计算化学界通用的技术来研究问题。 所开展的研究项目将利用计算工具来解决大气，生物，无机，材料，有机和物理化学中的重大问题。 这项研究将主要由不同的本科生进行，他们将接受使用最新计算机硬件和计算技术的宝贵培训。