CCPQ: Quantum Dynamics in Atomic, Molecular and Optical Physics

CCPQ：原子、分子和光学物理中的量子动力学

基本信息

批准号：
EP/M022544/1
负责人：
Graham Worth
金额：
$ 12.95万
依托单位：
University of Birmingham
依托单位国家：
英国
项目类别：
Research Grant
财政年份：
2015
资助国家：
英国
起止时间：
2015 至无数据
项目状态：
已结题

来源：
https://gtr.ukri.org/projects?ref=EP%2FM022544%2F1
关键词：
CCPQ Quantum Dynamics Atomic Molecular

项目摘要

The dynamics of quantum particles is the basis to describing the material world. Collisions between nuclei provides basic chemical reactivity, while the movements of electrons around nuclei provides the fine mechanistic details. To understand these motions we need to solve the time-dependent Schroedinger equation - a non-trivial problem for more than 3 particles that requires a huge computational effort.State-of-the art experiments using attosecond or femtosecond pulses of radiation allow us to follow the motion of these particles, but without computer simulations the results are difficult to understand. This field of research is presently undergoing a huge expansion, due to the provision of new light sources such as free electron lasers (FELs), and software needs to be developed to keep up to the new capabilities. CCPQ has two community codes (R-matrix suite, MCTDH wavepacket dynamics) to treat these processes. The results give a deep inside into the fundamental reactivity of molecules, where quantum mechanical behaviour must be considered.The interactions of anti-matter particles are also a topic of much interest, primarily due to the use of positrons in medical imaging, but also as a field of fundamental science in experiments such as the ALPHA project. Here, anti-matter particles are collided with normal matter and the different decay channels investigated. CCPQ is developing a code in collaboration with experimentalists to help understand the behaviour of these exotic sounding, but useful, particles. Going from few bodies to many-bodies introduces some of the most fascinating phenomena in physics, such as superfluidity, superconductivity and ferroelectricity. However, to directly simulate them also introduces an exponentially scaling overhead in computation effort with the system size. While usually the preserve of condensed matter systems such strongly-correlated physics, where particles behaviour collectively, are now accessible in controlled ways with cold-atoms trapped in optical lattices. This has opened up previously inaccessible coherent dynamics in many-body systems to experimental scrutiny, such as examining what happens if the interaction and kinetic energies of particles are quenched across a quantum phase transition. The advances of this unique perspective are now reciprocating back to condensed matter problems where interaction of THz radiation on femtosecond timescales is also revealing correlated coherent electrons motion in solid-state systems. This topic of strongly-correlated many-body dynamics is the final strand of CCPQ development - embodied by the TNT project which introduces new ways of compressing many-body states to overcome the exponential barrier. It will support not only the emerging quantum technology of cold-atom quantum simulation, but also may eventually aid in designing and controlling real materials where optical pulses can switch properties such as superconductivity or ferroelectricity with great technological potential.CCPQ supports the development of these world leading community codes by providing a forum for the exchange of ideas, by providing networking opportunities for researchers to help disseminate the codes, and by supporting training workshops for users of the codes. It also provides direct support in the form of computer experts at the Daresbury laboratory who help optimise the codes for use on large high performance computers (HPC).

量子粒子的动力学是描述物质世界的基础。核之间的碰撞提供了基本的化学反应性，而核周围电子的运动提供了精细的机械细节。要了解这些动作，我们需要解决时间依赖的Schroedinger方程 - 对于超过3个粒子而言，这是一个不平凡的问题，需要巨大的计算工作。使用Attosecond或fnessecond pulses进行辐射脉冲的艺术实验，我们可以遵循这些粒子的运动，但没有计算机模拟的运动，结果很难理解。由于提供了新的光源，例如免费电子激光器（FELS），因此目前正在进行大量研究领域，并且需要开发软件以掌握新功能。 CCPQ具有两个社区代码（R-Matrix Suite，MCTDH Wavepacket Dynamics）来处理这些过程。该结果使得必须考虑必须考虑量子机械行为的基本反应性深入内部。反物质颗粒的相互作用也引起了人们的关注，这主要是由于在医学成像中使用正电子，但也是在实验中作为Alpha Project等实验中的基本科学领域。在这里，抗物颗粒与正常物质碰撞，并研究了不同的衰减通道。 CCPQ正在与实验者合作开发代码，以帮助了解这些异国情调但有用的粒子的行为。从少数物体变成多物体，引入了物理学中一些最迷人的现象，例如超流体，超导性和铁电性。但是，要直接模拟它们，还会在系统尺寸的计算工作中引入指数缩放的开销。虽然通常是凝结物质系统的保存，例如粒子行为共同行为，现在可以以受控的方式进入，而冷原子被困在光学晶格中。这已经打开了多体系统中以前无法访问的相干动力学，例如检查如果粒子的相互作用和动能在跨量子相变中淬灭，会发生什么。现在，这种独特的观点的进步正在回复回到凝结的问题问题，在这些问题上，thz辐射在飞秒时尺度上的相互作用也揭示了固态系统中相关的相干电子运动。与TNT项目所体现的CCPQ开发的最终相关多体动力学主题是CCPQ开发的最终链，它引入了压缩多体状态以克服指数障碍的新方法。它不仅将支持冷原子量子模拟的新兴量子技术，而且最终可能会帮助设计和控制真实的材料，在这些材料中，光脉冲可以切换诸如超导性或巨大的技术潜力的属性（例如，巨大的技术潜力）。CCPQ通过为这些世界提供了启动的社区代码的发展，从而为这些世界提供了启动的范围，从而通过为您提供了启动的范围，通过为您提供了启动的范围，从而为您提供了跨性别的范围，从而为您提供了跨性别的范围，从而为您提供了跨性别的范围，并提供了跨性别的范围。代码。它还以Daesbury实验室的计算机专家的形式提供直接支持，后者帮助优化了在大型高性能计算机（HPC）上使用的代码。