UK R-matrix Atomic and Molecular Physics HPC Code Development Project (UK-RAMP)

英国 R 矩阵原子和分子物理 HPC 代码开发项目 (UK-RAMP)

• 批准号: EP/G055416/1
• 负责人: Hugo Willem Van Der Hart
• 金额: $ 53.02万
• 依托单位: Queen's University Belfast
• 依托单位国家: 英国
• 项目类别: Research Grant
• 财政年份: 2009
• 资助国家: 英国
• 起止时间: 2009 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=EP%2FG055416%2F1
• 关键词: UK; matrix; Atomic; Molecular; Physics

New areas of Science are emerging for which multi-electron dynamics in atoms and molecules are crucial. One important example is the field of Atto-second Science where laser light and the electrons of matter interact on the atto-second time-scale making possible, for example, the shortest-ever pulses of VUV light. One atto-second is only one millionth-millionth-millionth of a second but electrons driven by strong laser light collide violently with others and move distances large compared to the size of an atom on the atto-second time-scale of several hundred atto-seconds. Another important example is the recent appreciation that ionizing radiation damages living animals and plants by bringing about strand breaks in the DNA molecule through a multi-electron interaction.Such newly emerging areas of Science involve large experimental teams in the UK and around the world who publish their research findings in top journals such as Nature and Science. Despite this, there does not yet exist anywhere in the world a set of computer codes capable of calculations of sufficient sophistication to be useful in conjunction with the laboratory experiment effort, in driving the Science forward. Such calculations demand the full power of present (and prospective) High Performance Computing - available through machines which presently can cost 100M and upwards.The purpose of the proposed research is to develop a suite of high-quality computer codes that will be widely used; will harness such high performance computing machines most effectively over many years; and will relate directly to areas of Science (brief descriptions of two such areas given above) where a detailed account of multi-electron dynamics in electrons and molecules is essential to driving the Science forward.

新的科学领域正在出现，原子和分子中的多电子动力学至关重要。一个重要的例子是Atto-Second Science领域，其中激光光和物质的电子在Atto秒的时间尺度上相互作用，例如，Vuv Light的有史以来最短的脉冲。一个Atto秒仅是一秒钟的一千万百万亿分之一，但是由强烈的激光驱动的电子与他人剧烈碰撞并移动距离很大，而在Atto秒的时间尺度上的原子大小则是数百个atto秒。另一个重要的例子是最近的欣赏，即电离辐射损害活的动物和植物，通过通过多电子的相互作用在DNA分子中破坏活的动物和植物。新兴的科学领域涉及英国和世界各地的大型实验团队，他们在自然和科学等顶级期刊上发布了他们的研究结果。尽管如此，世界上尚未存在一套能够计算足够复杂的计算机代码，可以与实验室实验努力结合使用，以推动科学向前。这样的计算需要当前（和预期）高性能计算的全部功能 - 可通过机器可用，目前可能会花费100m和向上。多年来，将最有效利用这样的高性能计算机；并将直接与科学领域（对上述两个这样的领域的简短描述）有关，其中详细说明了电子和分子中的多电子动力学对于推动科学向前是必不可少的。

项目成果

Pulse-shape control of two-color interference in high-order-harmonic generation

• DOI: 10.1103/physreva.95.013408
• 发表时间: 2017-01
• 期刊: Physical Review A
• 影响因子: 2.9
• 作者: K. Hamilton;H. Hart;A. Brown

Extreme-Ultraviolet-Initated High-Order Harmonic Generation: Driving Inner-Valence Electrons Using Below-Threshold-Energy Extreme-Ultraviolet Light.

• DOI: 10.1103/physrevlett.117.093201
• 发表时间: 2016-08
• 期刊: Physical review letters
• 影响因子: 8.6
• 作者: Light;Brown;Van Der Hart

Time-resolved four-wave-mixing spectroscopy for inner-valence transitions.

• DOI: 10.1364/ol.41.000709
• 发表时间: 2015-10
• 期刊: Optics letters
• 影响因子: 3.6
• 作者: T. Ding;C. Ott;A. Kaldun;A. Blättermann;K. Meyer;V. Stooß;M. Rebholz;P. Birk;M. Hartmann;A. Brown;H. W. van der Hart;T. Pfeifer

Atomic harmonic generation in time-dependent R-matrix theory

时变 R 矩阵理论中的原子谐波产生

• DOI: 10.48550/arxiv.1211.3277
• 发表时间: 2012
• 作者: Brown A

XUV-initiated high harmonic generation: driving inner valence electrons using below-threshold-energy XUV light

XUV 引发的高次谐波产生：使用低于阈值能量的 XUV 光驱动内价电子

• DOI: 10.48550/arxiv.1608.00809
• 发表时间: 2016
• 作者: Brown A