Computational modelling of ultrafast chiral light-matter interactions

超快手性光-物质相互作用的计算模型

• 批准号: 2892752
• 金额: --
• 依托单位: Imperial College London
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2023
• 资助国家: 英国
• 起止时间: 2023 至 无数据
• 项目状态: 未结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2892752
• 关键词: Computational; modelling; ultrafast; chiral; light

The PhD student will use and further develop advanced quantum mechanical many-body computational tools to model, design and interpret the pioneering experiments on chiral light-matter interaction within the Extreme Light Consortium (XLC) of Imperial College Blackett Laboratory. Specifically, the many-body quantum mechanical approach called B-spline algebraic diagrammatic construction (B-spline ADC), developed at the XLC, will be employed to simulate the response of electrons within a chiral molecule to irradiation with tailored femto- and attosecond laser pulses.Traditional chiro-optical methods rely on the electronic response of matter to both the electric and magnetic components of a circularly polarised wave, i.e. on the chiral molecule "sensing" the helix of the fields' vectors evolution in space. However, the micron-scale pitch of this helix is way too large compared to the angstrom- or nanometre-scale size of the molecules, leading to extremely weak chiro-optical effects (usually below 0.1%).In this project, we will bypass this fundamental limitation by tailoring the polarisation of the laser field in time, in a way that the chiral response of the molecules does not rely on the helical trajectories of the electric and magnetic field vectors of circularly polarised light. Our control over the temporal structure of the optical field enables the highest possible degree of control over the chiral response of chiral matter: quenching it in one chiral molecule while maximising it in its mirror twin. High-precision quantum mechanical modelling of the quantum many-electron wavepacket evolution that is behind the chiral molecular response is essential to determine the optimal shape of the probing light.

该博士生将使用并进一步开发先进的量子力学多体计算工具，对帝国理工学院布莱克特实验室极光联盟（XLC）内的手性光与物质相互作用的开创性实验进行建模、设计和解释。具体来说，XLC 开发的称为 B 样条代数图解构造（B 样条 ADC）的多体量子力学方法将用于模拟手性分子内的电子对定制飞秒和阿秒激光照射的响应传统的手性光学方法依赖于物质对圆偏振波的电和磁分量的电子响应，即依赖于手性分子“感测”圆偏振波的螺旋场向量在空间中的演化。然而，与埃或纳米级分子尺寸相比，这种螺旋的微米级螺距太大，导致手性光学效应极弱（通常低于 0.1%）。在这个项目中，我们将绕过通过及时调整激光场的偏振来克服这一基本限制，从而使分子的手性响应不依赖于圆偏振光的电场和磁场矢量的螺旋轨迹。我们对光场时间结构的控制使得能够对手性物质的手性响应进行最高程度的控制：在一个手性分子中淬灭它，同时在其镜像孪生中最大化它。手性分子响应背后的量子多电子波包演化的高精度量子力学建模对于确定探测光的最佳形状至关重要。