Collaborative Research: Electronic Properties of Strongly Correlated Systems using Petascale Computing

合作研究：使用千万亿级计算的强相关系统的电子特性

• 批准号: 0941181
• 负责人: Sergey Savrasov
• 金额: $ 1.99万
• 依托单位: University of California-Davis
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2009
• 资助国家: 美国
• 起止时间: 2009-10-01 至 2011-09-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0941181&HistoricalAwards=false
• 关键词: Collaborative; Research; Electronic; Properties; Strongly

This collaborative award facilitates scientific research using the large new computational resource named Blue Waters being developed by IBM and scheduled to be deployed at the University of Illinois in 2011. It provides travel funds to support technical coordination between the principal investigators, the Blue Waters project team and vendor technical team and a provisional allocation of supercomputing time on the system.The proposed project is an investigation of the behavior of materials containing strongly correlated electron systems. Such materials often have interesting properties; for example, high-temperature superconductivity, colossal magneto-resistance, large optical nonlinearities and large thermoelectric coefficients. The project includes the adaptation to Blue Waters of a computer code to model such materials and an investigation of the electronic properties of novel, iron-based superconductors. The researchers will study the physics of short-range correlation effects and the itinerancy of the d-electron states. They will derive and study low-energy Hamiltonians for various pnictides, using them to study hopping integrals, exchange couplings, electron-phonon and magnon-phonon interactions, and determining trends in superconducting temperatures. The project team will also examine the competition between superconductivity and the Kondo effect.The proposed work will add a valuable predictive tool for the study of strongly correlated materials including those with potentially interesting industrial applications. The techniques developed should be of broad applicability, and the code and methods developed will be made available to the broader scientific community. The project will include the teaching of complicated many body concepts of solid-state physics to students through the use of state-of-the-art numerical and computational techniques, enhancing the human infrastructure for materials science. The project team integrates research and education through the inclusion of students and post-doctoral researchers.

该协作奖项促进了科学研究，利用IBM开发的大量新计算资源，并计划于2011年在伊利诺伊大学部署，它提供了旅行资金，以支持主要研究人员，蓝水项目团队和供应商技术团队和供应商技术团队与材料的供应量很高的项目。系统。 这样的材料通常具有有趣的特性。例如，高温超导性，巨大的磁性耐药性，较大的光学非线性和大型热电系数。该项目包括对计算机代码的蓝色水的改编，以对此类材料进行建模以及对新型铁，基于铁的超导体的电子特性的研究。 研究人员将研究短距离相关效应的物理学和D-电子状态的行程。他们将用于各种pnictides的低能汉密尔顿人，并使用它们来研究跳跃积分，交换耦合，电子 - 音波和镁 - 音波相互作用，并确定超导温度的趋势。 项目团队还将研究超导性与近藤效应之间的竞争。拟议的工作将为研究强相关的材料（包括具有潜在有趣的工业应用的材料）添加宝贵的预测工具。 开发的技术应该具有广泛的适用性，并且开发的代码和方法将提供给更广泛的科学界。 该项目将包括通过使用最先进的数值和计算技术的固态物理学的许多复杂人体概念的教学，从而增强了人类的材料科学基础设施。 项目团队通过包括学生和博士后研究人员的成绩将研究和教育整合在一起。