Massively Parallel Platform for the Center of Computational Materials Theory

计算材料理论中心大规模并行平台

• 批准号: 0116566
• 负责人: Nicholas Kioussis
• 金额: $ 25万
• 依托单位: The University Corporation, Northridge
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2001
• 资助国家: 美国
• 起止时间: 2001-09-01 至 2002-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0116566&HistoricalAwards=false
• 关键词: Massively; Parallel; Platform; Center; Computational

This award from the Major Research Instrumentation Program will allow California State University Northridge to expand and strengthen the computational facilities at the Computational Materials Theory Center at California State University Northridge. The general goals of the Center are: (1) To conduct fundamental and applied research that enhances our knowledge in materials properties and processing through theory, modeling, simulation, visualization and computation; (2) To educate and train students through a program of studies and research activities on current and future materials-related technological challenges; and (3) To stimulate and develop strong industrial-university-national laboratory partnerships in materials research. The research programs include the electronic and mechanical properties of metals and intermetallics, the properties of strongly correlated electrons, the Quantum Hall effect and high temperature superconductivity, the optical and magneto-optical properties of materials, catalysis, and the Quantum Hall effect, the optical and magneto-optical properties of materials, catalysis, and magnetic and electronic properties of nanostructure materials in general. The award will provide a parallel computing paradigm capability allowing the center (1) to treat large numbers of atoms ab initio electronic structure codes, (2) to sample a larger number of configurations in Monte Carlo simulations and (3) to decrease the time steps in molecular dynamics simulations. The Center comprises of faculty, postdoctoral fellows, visiting scientists and students.This award from the Major Research Instrumentation Program will allow California State Northridge to enhance the parallel computing capability at the Computational Materials Theory Center at California State University Northridge. This award will be leveraged substantially using funds from other federal agencies. The resulting massively parallel platform state-of-the-art facility will allow enhanced capability to investigate problems that are beyond current capabilities at the institution, such as bridging different length scales, increasing the configuration space in Monte Carlo simulations, and decreasing the time scale in molecular dynamics simulations. The facility will train students, including underrepresented minority students, and educate them in materials related technological challenges of the next century. The University was ranked first among master's degree-granting institutions in the number of baccalaureate graduates who went on to complete the Ph.D. in science and engineering fields.

主要研究仪器计划的这一奖项将使加州州立大学北岭分校能够扩大和加强加州州立大学北岭分校计算材料理论中心的计算设施。该中心的总体目标是：（1）进行基础和应用研究，通过理论，建模，模拟，可视化和计算增强我们在材料特性和加工方面的知识;（2）通过对当前和未来材料相关技术挑战的研究和研究活动计划教育和培训学生;以及（3）促进和发展材料研究方面的工业、大学和国家实验室之间的强有力的伙伴关系。研究计划包括金属和金属间化合物的电子和机械性质，强关联电子的性质，量子霍尔效应和高温超导性，材料的光学和磁光性质，催化和量子霍尔效应，材料的光学和磁光性质，催化和纳米结构材料的磁性和电子性质。该奖项将提供一个并行计算范例的能力，使该中心（1）处理大量的原子从头电子结构代码，（2）在蒙特卡罗模拟中采样大量的配置和（3）减少分子动力学模拟的时间步长。该中心由教师、博士后研究员、访问科学家和学生组成。这项来自主要研究仪器计划的奖项将使加州州立北岭大学能够提高加州州立大学北岭大学计算材料理论中心的并行计算能力。该奖项将充分利用其他联邦机构的资金。由此产生的大规模并行平台国家的最先进的设施将允许增强的能力，调查的问题，是在该机构目前的能力，如桥接不同的长度尺度，增加蒙特卡罗模拟的配置空间，并减少在分子动力学模拟的时间尺度。该设施将培训学生，包括代表性不足的少数民族学生，并教育他们在下一个世纪的材料相关的技术挑战。 该大学在硕士学位授予机构中排名第一，学士毕业生继续完成博士学位。在科学和工程领域。