Computational methods in atomic collision theory

原子碰撞理论的计算方法

• 批准号: LP0560904
• 负责人: Prof Igor Bray
• 金额: $ 8.33万
• 依托单位: Curtin University
• 依托单位国家: 澳大利亚
• 项目类别: Linkage Projects
• 财政年份: 2005
• 资助国家: 澳大利亚
• 起止时间: 2005-09-22 至 2008-12-31
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/LP0560904
• 关键词: Computational; methods; atomic; collision; theory

We will develop computational methods for solving interactions between particles on the atomic scale. Computational problems, of particular interest to the industry partner, are the treatment of large-scale ill-conditioned linear systems, and the extension of the Gaussian molecular structure package to collision physics. We have been world-leaders in the field of atomic collision theory for almost a decade, and now, utilising the latest software and hardware, will have the capacity to extend the numerical techniques to a vast range of collision systems of interest to science and industry, where visualisation and sheer computer power will play a major role in both code development and production runs.

我们将开发计算方法来解决原子尺度上粒子之间的相互作用。计算问题，特别感兴趣的行业合作伙伴，是大规模病态线性系统的治疗，并扩展高斯分子结构包碰撞物理。近十年来，我们一直是原子碰撞理论领域的世界领导者，现在，利用最新的软件和硬件，我们将有能力将数值技术扩展到科学和工业感兴趣的各种碰撞系统，可视化和纯粹的计算机能力将在这两个领域发挥重要作用 代码开发和生产运行。