报告介绍 报告摘要：　　While ultraviolet (UV) photodissociation provides informative fragmentation patterns and insights into photochemical reactions and action spectroscopy, the limited overlap between vibrational bound states and continuum states hinders the efficient quantum excitation typically achieved in photoexcitation between bound states.　　We address this challenge by embedding the ground bound po...

报告介绍 报告摘要：　　现代社会由个人、计算设备、社会群体等的互联网络组成。在这些网络中，传染病、信息和观点通过个体间的链接以概率性或确定性的方式传播。类似地，信息传播、舆论扩散和市场推广也可以借鉴传染病传播模型进行分析。为了有效控制和减缓传染病的扩散，人们需要精确建模传播过程，制定科学的预防和干预策略，并以最小化传播风险的方式合理分配防护资源。这是一项复杂的任务，尤其是在网络中存在多个相互关联的传播过程时，...

报告介绍 报告摘要：　　Recently, superconducting diodes are becoming one of the hot topics in the study of superconductivity. In this talk I will talk about two types of superconducting diode effects, namely the supercurrent diode effect in one superconductor and the Josephson diode effect between two superconductors, whose properties are analyzed according to symmetry principles. Material candidates and exa...

报告介绍 报告摘要：　　激发态随时间衍化的动力学过程是决定有机光电转换效率的关键之一。报告将首先介绍课题组发展的高精度瞬态吸收和太赫兹光谱检测系统。在此基础上，我们系统研究了有机光电转换中电荷拆分和复合过程的动力学机制。在模型体系中，发现电荷拆分的空穴转移通道由畴内离域激发态主导，有效降低电荷拆分过程中的驱动能损失。厘清了电荷转移和能量转移在电荷拆分中的关键作用。电荷复合过程中，甄别了光生电荷双分子复合产生三...

报告介绍 Abstract:　　Polymers exhibit a broad spectrum of properties that make them ubiquitous in ourdaily lives. Understanding the molecular origins of these diverse properties is crucial formaterial design and application, where Molecular Dynamics (MD) simulations offer apowerful approach to gaining molecular-level insights into polymer materials. Howeverthe heterogeneous nature of polymers presents chall...

报告介绍 报告摘要：　　人工智能（AI）的快速发展正在重塑高性能计算（HPC）的范式。深度学习模型的核心计算已高度标准化为矩阵乘法（MM）操作，推动处理器广泛采用Tensor Core Units（TCUs），显著提升了AI计算性能。然而，与深度学习中统一的MM操作不同，HPC任务的计算模式复杂多样，优化技术分散且缺乏通用性，难以充分利用AI硬件的潜力。本报告提出了一种基于统一矩阵计算的HPC新范式，通过将多样化的HPC计算模式转化为MM操作，充分发挥A...

报告介绍 报告摘要：　　在原子尺度上对光场施加更强的约束，研究光与物质相互作用的新现象、新效应，发展新的光学技术，是光学、物理学等相关学科的前沿研究方向之一。通常，受限于光学衍射极限和“约束-损耗”平衡等制约，实现光场的原子尺度约束挑战很大。在此，介绍我们近期在原子尺度上光场极端约束方面的研究进展：基于介电纳米缝隙波导中束缚电子的相干极化，对单模光场中特定区域进行局部约束，获得空间尺度小于1 nm、峰值背景比大于2...

报告介绍 Abstract：　　Over the past few decades, Moore’s Law has been a driving force behind the exponential increase in integrated circuits capabilities, significantly impacting technology and society. However, the continuation of Moore’s Law is being called into question as the continuous shrinking of electric circuits approaches physical limitations: conventional semiconductors and metals in transistor...

报告介绍 Abstract:　　I will talk about the novel properties due to crystal symmetry in spin-splitting antiferromagnets (AFMs) [Nat. Commun. 12, 2846 (2021)] (also named altermagnet) and in topological superconductor [Nature 633, 71 (2024)].　　In spin-splitting AFMs, we propose the crystal-symmetry-paired spin-valley/momentum locking (CSVL), which is enabled by a crystal symmetry and intrinsically exists in...

报告介绍 报告摘要：　　自旋角动量的定向运动（自旋流）因其不依赖电子运动及低能耗的特征，被认为是理想的信息及能量载体，可能替代电荷流成为下一代低能耗电子器件的核心。然而，在其真正的实用化到来之前，高效的激发、调控、探测自旋流仍是首先需要解决的科学技术问题。报告人近年致力于在过渡金属为核心的“平凡”材料体系中研究自旋输运相关现象，试图探寻自旋激发、调控、探测的新逻辑、新机理、新方案。　　本次报告将总结报告人在反...

报告介绍 Abstract:        Light can be localized to extremely small regions, down to subnanometer dimensions, by metallic nanoresonators that support resonant oscillations of the free electron cloud called plasmonic resonances. The extreme localization induced by the plasmonic (or related) excitations introduces new possibilities for fundamental studies and applications, including the map...

报告介绍 报告摘要：　　低维量子材料具有丰富的光与物质相互作用和新奇的物理效应。光与物质相互作用除了作为探测手段以外，还有望利用强场脉冲激光作为一种新型物态调控手段，通过周期光场对电子态进行调制（简称弗洛凯调控），并实现平衡态所不具有的新物理、新效应[1]。本报告中，我将介绍我们在低维量子材料瞬时能带调控方面的研究进展。以半导体材料黑磷为例，我将介绍如何通过中红外激光共振激发[2]和低能非共振激发[3]，实现对其能带...

报告介绍 Abstract：　　Modern laser spectroscopic and metrology methods, involving atomic clocks and frequency comb lasers, allow for ever more refined and accurate determination of the quantum level structure of the smallest molecules, the hydrogen molecule, the hydrogen molecular ion, and its isotopologues. At the same time advanced quantum calculations, including non-adiabatic, relativistic and QED-effect...

报告介绍 报告摘要：　　Benefited from recent advances in big-data analytics, the machine learning method was proposed to accelerate discovery of materials with desired properties. In this talk, we apply several data-driven algorithms/strategies to establish high-throughput models that allows ready and accurate prediction on the Seebeck coefficient, the lattice thermal conductivity, and the ZT values of therm...

报告介绍 报告摘要：　　同步辐射光源所产生的X射线具有高通量、小光斑、宽能区、波长连续可调等优势，为催化材料“构效关系”研究提供了优越的表征平台。其中，X射线吸收精细结构谱学(XAFS)方法不仅具有元素敏感特性，而且还可以通过谱图解析获取样品中活性金属的电子结构、原子近邻结构等关键信息。因此，利用同步辐射原位XAFS技术，可指认催化剂反应活性中心、确定催化反应机理路径。报告人依托上海光源XAFS线站，与国内相关课题组密切合作...

报告介绍Abstract:　　VeloxChem is a science- and educational-enabling software platform for quantum molecular modeling at the levels of DFT and TDDFT. It is strictly object-oriented and written in a hybrid of the Python and C++/CUDA/HIP programming languages and it implements extremely e cient parallelism through MPI and OpenMP. Noteworthy functionalities include real and complex response functions up to cubic order ...