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

基本信息

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

项目摘要

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.

汉密尔顿学院化学系将通过主要研究工具（MRI）计划获得该奖项的计算机和磁盘空间系统。它将满足用户联盟的计算需求。该财团被称为本科计算化学的分子教育和研究财团（水星）由乔治·希尔兹（汉密尔顿学院），玛丽亚·戈麦斯（玛丽亚·霍利奥克学院），卡罗尔教区（里士满教区）（里士满大学），马克·齐默尔（University of Richmond），马克·齐默尔（University of Richmond）（罗德岛学院），米卡·艾布拉姆斯（米卡·艾伯兰大学），莫里西奥·卡菲奥（Rhodes College）（罗德斯学院），凯林·唐纳德（凯尔蒙德大学），贝基·埃吉曼（Richmond）（惠顿学院），卡尔·基尔斯施纳（Karl Kirschner），汉密尔顿学院（Hamilton College），Daqing Gao（Queensborn College of Cuny College of Cuny College of Cuny College of Cuny College of Cuny Colleds）（Erranan Calterson）（Truman Patterson）。所请求的仪器将在汞财团之间共享，以使用理论和计算化学社区共有的技术调查问题。这款计算机将提供促进计算技术以了解物质的特性。进行的研究项目将利用计算工具来解决大气，生物学，无机，材料，有机化和物理化学方面的重大问题。这项研究将主要由多样化的本科生进行，他们将使用最新的计算机硬件和计算技术接受宝贵的培训。