报告介绍 Abstract：　　The rich physics of doped Mott insulators is at the heart of high-temperature superconductivity in complex oxide compounds, although the precise mechanism for high temperature superconductivity is still up for debate. Advances in this field would greatly benefit from the availability of new material systems with similar richness of physical phenomena, ideally those that are much less c...

报告介绍 Abstract：　　Catalysis at surfaces and interfaces where there exists bi- or multi-component cooperation has been identified as crucial for many processes related to energy and environmental applications. In this talk, I will highlight such cooperative catalysis can be synthetically controlled at nanometer and singe-atom scale over well-defined nanocrystals, and can play critical roles in maximizing...

报告介绍 Abstract ：　　Two great advances in materials research are the control of nanoscale interfaces and surfaces and harness of emergent properties from heavily doped and complex crystals. Examples include all sorts of nanostructures, oxide and semiconductor hetero-structures, superconductors and ferro- and piezo-electric crystals. However, precise determination of atomic and electronic structures ...

报告介绍 Abstract: 　　Emerging 2D materials, such as atomically thin transition metal dichalcogenides (TMDs) and graphene, have been intensely studied due to their intriguing physical and chemical properties. These properties are usually governed by atomic point defects and interfaces in 2D materials, including edges and domain boundaries. Investigation of the defect and interface structures, therefore, is ...

报告介绍 Abstract ：　　In large-scaled WS2 monolayer film, which was grown by chemical vapor deposition on SiO2(300 nm)/Si substrates, huge amount of monolayer WS2 bubbles with a shape of spherical cap and widely distributed sizes have been successfully created by high-temperature treatment under protection of Ar gas flow. In optical and fluorescence images of the monolayer WS2 bubbles with large sizes, obv...

报告介绍 报告摘要：　　半导体胶体纳米晶由于量子受限效应而具有尺寸和形状依赖的光电特性，在基础研究和器件应用方面长期以来得到学术界的广泛关注。采用单粒子光谱测量技术，可以消除在系综层面的平均效应，从而精细地揭示单个纳米晶丰富的激子能级结构与复合动力学行为。首先，本报告将介绍在单个钙钛矿纳米晶中观察到的精细能级结构，以及该类原子优异特性在量子信息处理方面的潜在应用。接下来，本报告将介绍单个金属硫化物纳米晶之间的...

报告介绍 报告摘要：　　Synthesizing nanocrystals with precisely controlled size, shape, and structure is of great importance for understanding their properties, especially catalysis. Although significant developments have been achieved in colloidal synthesis in the past two decades, it remains challenging to synthesize nanocrystal catalysts in a predictive way due to a lack of mechanistic understanding of th...

报告介绍 Abstract：　　The determination of chemical reaction coefficients plays central role in the chemical kinetics modeling of combustion, atmospheric and interstellar chemistry by offering key parameters. A recently developed full dimensional approximate quantum dynamics, ring-polymer molecular dynamics (RPMD) provides an efficiency means for achieving high accuracy with less computational cost. Now RPM...

报告介绍 报告人简介：　　任伟，上海大学理学院，教授。2001年毕业于山西大学，2006年于香港大学获博士学位。2006-2008在香港科技大学任博士后，2008-2012在美国阿肯色大学任研究助理教授。研究方向：计算材料学；凝聚态物理；纳米科学 。截至2018年5月发表SCI论文140多篇，包括3篇Nature子刊，10篇Physical Review Letters，30篇Physical Review B等。

报告介绍 Abstract：　　I brief overview of my life's work will be given, starting with my MSc project in vibronic coupling in benzene and naphthalene, then moving through a 24-year project leading to the assignment of the visible absorption spectrum of chlorophyll. How this can be used to make a general model describing most chemical reactions will then be shown, focusing on a smooth transition between adiab...

报告介绍 Abstract：　　High performance parallel computing is accomplished by organizing and orchestrating parallel processing across multiple computers. In this lecture, I will give a brief introduction to parallel computing and also cover the design, implementation and evaluation of selected algorithms in scientific computing, including parallel linear algebra, statistical physics and many-body algorithms....

报告介绍 报告摘要：　　作为处理电子激发态的高精度第一性原理计算方法，多体格林函数理论引起人们的广泛关注。其中，基于单粒子格林函数的GW方法和基于双粒子格林函数的Bethe-Salpeter方程分别在研究电子能带结构和激子性质方面相较于传统的第一性原理方法展现出特有的优势。在该报告中，我将介绍这两种方法的发展历史和现状、相关公式的推导过程和计算细节。 报告人简介：　　马玉臣，山东大学化学与化工学院，教授，1997年毕业于山东...

报告介绍 报告摘要：研究生物大分子中化学反应的机理对于蛋白质以及药物的设计合成具有重大意义。分子动力学模拟可以用于计算化学反应的自由能面，从而能够辅助实验方法，在微观原子层面上揭示生物大分子中化学反应的机理。分子动力学模拟的高效率计算依赖于能够快速准确地计算化学反应势能面的方法，而多尺度反应性分子动力学就是这样一种方法。在这次报告中，我将会介绍这一方法的发展以及它的两个重要应用：1.研究细胞色素c 氧化酶中的质子...

报告介绍 报告摘要： 病原菌引起的感染性疾病已经发展成为人类的一个重大威胁，每年在世界范围内有数百万人因感染致病菌而死亡。近年来由于抗生素的滥用，导致了一序列耐多种抗生素的耐药菌的出现。因此，开发能抑制细菌的致病能力，同时减少细菌的选择压力而避免产生耐药菌的新型抗菌药物，成为当前临床研究的“超级挑战”。在铜绿假单胞菌PAO1中，群体感应系统作为最重要的一个信号途径，控制着众多致病因子的表达，与其致病能力...

报告介绍 Abstract： 　　Quantum computers will one day revolutionize our technologies and lives but require control of many quantum bits (qubits), which is still beyond the reach of current technology. Here we show that even the control of one single qubit can already facilitate useful quantum technologies. The control and measurement of a single qubit associated with the nitrogen-vacancy center in diamond h...

报告介绍 Abstract： Effects of spin-orbit interactions in condensed matter are an important and rapidly evolving topic. Strong competition between spin-orbit, on-site Coulomb and crystalline electric field interactions in iridates drives exotic quantum states that are unique to this group of materials. This talk offers a brief review of current experimental studies of iridates [1] and emphasize dis...