• 主题
高级搜索  >
历史搜索 清空历史
首页> 美国政府科技报告 >Integrating the QMR method with first principles material science application code
【24h】

Integrating the QMR method with first principles material science application code

机译：将QmR方法与第一原理材料科学应用程序代码集成

获取原文
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

First principles methods are used to aid the material designers and metallurgists in the investigation and design of new materials. These methods suffer from a divergent O(N(sup 3)) scaling which restricts the problem sizes that can be addressed. It will be demonstrated that the O(N(sup 3)) scaling problem can be overcome by employing real-space multiple scattering techniques to calculate the scattering properties, combined with the QMR algorithm. By incorporating the QMR method into our real-space multiple scattering code, we observed O(N) scaling for the large problem sizes of interest. This advancement will provide researchers with the necessary tools to treat large systems.

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号