Massively Parallel Platform for the Center of Computational Materials Theory

主要研究仪器项目的这一奖项将允许加州州立大学北岭分校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)开展基础和应用研究，通过理论、建模、模拟、可视化和计算增强我们在材料性能和加工方面的知识；(2)通过学习和研究活动，就当前和未来与材料相关的技术挑战教育和培训学生；以及(3)促进和发展强大的工业-大学-国家实验室在材料研究方面的伙伴关系。研究项目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，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，以及一般纳米结构材料的磁电性质。该奖项将提供一种并行计算范例能力，允许该中心(1)从头算电子结构代码处理大量原子，(2)在蒙特卡罗模拟中对大量构型进行采样，以及(3)减少分子动力学模拟中的时间步长。该中心由教师、博士后研究员、访问科学家和学生组成。主要研究仪器项目的这一奖项将允许加州州立大学北岭大学增强加州州立大学北岭计算材料理论中心的并行计算能力。这项奖励将大量使用其他联邦机构的资金进行杠杆操作。由此产生的大规模并行平台最先进的设施将使研究机构现有能力之外的问题的能力得到增强，例如桥接不同的长度尺度，增加蒙特卡罗模拟中的配置空间，以及减少分子动力学模拟中的时间尺度。该设施将培训学生，包括未被充分代表的少数民族学生，并向他们传授与下个世纪的技术挑战相关的材料。该大学在授予硕士学位的院校中排名第一，获得学士学位的毕业生继续完成科学和工程领域的博士学位。

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.