上海大学量子与分子结构国际中心

International Centre for Quantum and Molecular Structures (ICQMS)

ICQMS Seminar 量子与分子结构中心学术报告

Index时间Time地点Venue题目Title报告人Speaker
Year 2018
272018.7.18E106The ‘122’ Fe-pnictide superconductors
122型铁基超导及其第一原理计算
Prof. Alessandra Continenza
Universita’ degli Studi dell’Aquila
262018.7.18E106From semiconductors to artificial graphene
从半导体到人工石墨烯
Prof. Christophe Delerue
Centre national de la recherche scientifique (CNRS)
Institute of Electronics, Microelectronics and Nanotechnology (IEMN)
252018.7.16E106Scanning tunneling microscopy: Recent challenges and future prospects
扫描隧道显微镜的挑战和展望
Krisztián Palotás
斯洛伐克科学院物理所
匈牙利科学院
242018.7.13E106Machine learning based high-dimensional reactive potential energy surfaces and reaction dynamics for gas-surface reactions
气相-表面化学反应的机器学习高维势能面和反应动力学
Bin Jiang
Department of Chemical Physics, University of Science and Technology of China
232018.7.12E106Topology and geometry of Bloch electrons
布洛赫电子的拓扑和几何
Prof. Qian Niu
University of Texas at Austin
222018.7.11E106Adsorption of 2D Materials on SapphireKester Wong
Ulsan National Institute of Science and Technology (UNIST) South Korea
212018.7.9E106Engineering Dirac materials
狄拉克材料工程科学
Bruno Grandidier
Centre national de la recherche scientifique (CNRS)
202018.7.5E106Discovery of Known and Unknown Materials with Computational Techniques
已知和未知材料的计算科学技术
Lee A. Burton
Université Catholique de Louvain, Belgium
192018.7.3E106Theory of photoinduced ultrafast switching to a spin-orbital ordered 'hidden' phase
光致超快调控自旋轨道序的强关联物理理论
李佳骏博士
德国纽伦堡大学
182018.6.26E106Few Layered Graphene/Metal oxide nanocomposite Materials for Solar cell applications
少层石墨烯-金属氧化物纳米复合材料在太阳能电池中的应用
Dr. Satish Bykkam
Nano Electronics Laboratory, Jawaharlal Nehru Technological University Hyderabad (JNTUH), India
172018.6.26E106Synthesis & optimizing conditions of BiFeO3 multiferroic material for photocatalytic & DSSC applications
铁酸铋多铁材料光催化和燃料敏化太阳能电池的制备和优化
Dr. Vanga Rajendar
Material Science Laboratory, Dept of Electronic Engineering, Yeungnam University, South Korea
162018.6.5E106ICQMS International Symposium on Computational PhysicsYingkai Zhang (NYU)
William Glover (NYU Shanghai)
Zhenggang Lan (QIBEBT)
152018.5.25E106Structures and quantum fluctuations in biological short hydrogen bondsLu Wang, Rutgers University, Department of Chemistry and Chemical Biology, NJ, USA
142018.5.17E106第一原理材料模拟: 晶体结构和物性预测Riccarda Caputo
ETH Zürich(瑞士联邦理工学院)
132018.4.26E106Density Matrix Renormalization Group Method in Quantum Chemistry马海波
南京大学, 优青
122018.4.17E106Recent Progress in Ultra-long Multi-color Persistent Phosphors王育华教授
兰州大学
112018.4.10E106寻找固体宇宙中的新奇费米子丁洪研究员
中科院物理研究所
102018.3.30E106同步辐射表征晶体和原子结构对电子态的影响
Effects of Lattice and Atomic Structure on Electronic States Characterized by Synchrotron X- Ray
Yanna Chen (陈艳娜)
Synchrotron X-Ray Station at SPring-8, National Institute for Materials, Japan
92018.2.2E106先进气体分离材料的理论模拟与设计田子奇
中国科学院宁波材料技术与工程研究所
82018.2.2E106级联非线性过程中的量子相关特性研究俞友宾
宁波工程学院材料与化学工程学院
72018.1.11E106Terahertz charge dynamics in the proximity of quantum critical point in the phase diagram of rare earth nickelatesV. Eswara Phanindra
Indian Institute of Science Education and Research (IISER) Bhopal, India
62018.1.10E106高灵敏硅纳米线生化传感器关键技术及应用高安然
中科院上海微系统与信息技术研究所微系统技术国家实验室
52018.1.8E106时间为什么不能倒流?(诺奖物理学家)Anthony James Leggett
伊利诺伊大学
42018.1.4E106Germanene:a new member of the graphene family
锗烯二维材料研究
Lijie Zhang
University of Twente
32018.1.4E106超价态电池的新型阴极材料研究Maxim Arsent'ev
俄罗斯科学院硅酸盐化学所
22018.1.3E106二维能源材料的第一性原理探究焦亚龙
昆士兰科技大学
12018.1.3E106纳米材料的结构以及奇异电子性质的理论探究马风仙
昆士兰科技大学
Year 2017
362017.12.26E106漫谈机器学习
Introduction to Machine Learning
Alex Po Leung, 梁宝
Macau University of Science and Technology
352017.12.25E106金属酶反应机理的理论研究东庚
瑞典Lund大学
342017.12.18E106Interplay between Kitaev interaction and single ion anisotropy in ferromagnetic CrI3 and CrGeTe3 monolayers
铁磁单层材料的Kitaev作用和单离子各向异性
Changsong Xu
University of Arkansas, USA
332017.12.8E106The Development of Effective Molecular Dynamics Simulation Methods and Their Application in Biomolecular Systems
高效分子动力学模拟方法的开发及其在生物分子体系中的应用
Qiang Shao
322017.12.5E106Topological Vortex Domains in Quantum Materials
量子材料的拓扑涡旋畴结构
Sang-Wook Cheong
312017.12.5E106Mechanisms and origins of half-metallic ferromagnetism in CrO2
半金属铁磁材料二氧化铬的机制起源
Igor Solovyev
302017.11.27E106结构光照明超分辨显微成像--原理,方法及应用李辉
中科院
292017.11.27E106合金化元素对Nb-Si基超高温合金力学性能影响的理论研究石松鑫
282017.10.31E106Internally Contracted Multireference Coupled Cluster Calculations with a spin-free Dirac-Coulomb HamiltonianFilippo Lipparini
University of Pisa, Italy
272017.10.31E106Polarizable Molecular Dynamics in a Polarizable Continuum Solvent: Is this really possible?Filippo Lipparini
University of Pisa, Italy
262017.10.12E106Theoretical study of reaction dymanics in extreme environments
极端条件下反应动力学的理论研究
Chih-Hao Chin
252017.10.12E106Theoretical study of Excited State Dynamics
激发态动力学的理论研究
Chih-Hao Chin
242017.9.18E106Phase Slip Catastrophe and Critical Currents in Superconducting Thin Films and Wires
超导薄膜中的相滑移和临界电流
Binoy Sobnack
232017.9.6E106Analogies between Jahn-Teller and Rashba spin physicsAlessandro Stroppa
222017.8.31E106Single-domain ferromagnets independent of its size and their potential applications
单畴铁磁体的尺度效应和磁电耦合材料应用
TM.-H. Whangbo
212017.7.7E106诺奖物理学家Anthony James Leggett教授研讨会Anthony James Leggett
202017.7.5E106Quaternionic analytic SU(2) Landau levels and topological insulators in 3D
三维体系的四元解析SU(2)朗道能级和拓扑绝缘体
Congjun Wu
192017.6.29E106Mechanical characterization and additive manufacturing across length scales
多尺度增材制造和力学表征
Yu Zou
182017.6.27E106Vibrational effects in molecular transport junctions
分子输运异质结的振动效应
Daniel Kosov
172017.6.22E106First-principles materials modeling
第一原理材料模拟
Riccarda Caputo
162017.6.21E106Dynamics of the Conformational Transitions during the Dimerization of an Intrinsically Disordered Peptide: the Case of Human Islet Amyloid Polypeptide
内廪无序多肽二聚过程中的构象转化动力学:胰岛淀粉样蛋白的实例研究
Qin Qiao
152017.6.21E106Theoretical studies of G protein-coupled receptors and G proteins
G-蛋白-偶联受体和G-蛋白的理论研究
Xianqiang Sun
142017.6.21E106Unfolding Hidden Barriers by Active Enhanced Sampling
基于动态增强抽样的去折叠隐势垒研究
Ming Chen
132017.6.21E106Quantum Wavepacket Method and Its Applications to Pentaatomic Systems: Reaction Dynamics & Spectroscopy量子波包方法及其在五原子体系中的应用:化学反应动力学和光谱宋宏伟
122017.6.19E106SINGLE-MOLECULE JUNCTIONS: ELECTRONIC TRANSPORT AND BEYOND
单分子异质结:电子输运以及更多
Daniel Kosov
112017.6.9E106Density functional theory studies of Fe and Mn substituted CoCr2O4Debashish Das
102017.6.5E106Unidirectional allostery in the regulatory subunit RIalpha facilitates efficient deactivation of protein kinase A
蛋白激酶A调节亚基中单向变构效应的分子模拟研究
Cong Guo
92017.6.2E106[国际大师讲坛]解读拓扑相变之美——诺奖大师走进上大!拓扑相、拓扑缺陷及二维相变
Topological Order and Defects, and Phase Transitions in Two Dimensions
迈克尔?科斯特利茨(Michael Kosterlitz)教授
82017.4.26E106Theory for light-control of materials properties using mid-infrared pulses
中红外脉冲光控铁电材料物性的微观理论研究
Alaska Subedi
72017.4.21E106An all-Organic Elastomeric Electret Composite Frank A. Nüesch
62017.3.16F201机器学习算法推动下的量子力预测及其在大规模材料计算中的应用李振伟
52017.2.28E106STABILITY AND ELECTRONIC PROPERTIES OF LOW-DIMENSIONAL NANOSTRUCTURES
低维纳米材料的稳定性和电子学特性
Jie Guan
42017.2.27E106Activating WS2 Basal Plane for Highly Efficient Hydrogen Evolution
二硫化钨表面的高效率析氢反应
Tao Hu
32017.2.21E106Fragment Based Drug Design and Virtual Screening
分子切块药物设计和虚拟筛选的量子力学方法计算研究
Jun Zeng
22017.2.20E106First-principles study of complex halide scintillators for radiation detection
复杂卤化物闪烁晶体探测辐射的第一原理研究
Qingguo Feng
12017.2.15G309Telling ‘Who is Who’ at Atomic Scale-STM & XPS & DFT – Powerful Tools for Surface Science
原子尺度表面科学的STM & XPS & DFT研究
Tianchao Niu
Year 2016
122016.12.28E106Slush?Structure?and?Dynamics?in?a?Relaxor?Ferroelectric
弛豫铁电材料的结构和动力学
Andrew M.Rappe
112016.12.27E106The?bulk?photovoltaic?effect?in?polar?oxides?for?robust?and?efficient?solar?energy?harvesting
太阳能应用中的极化氧化物的体材料光伏效应
Andrew M.Rappe
102016.12.16E106Structural,?Magnetic?and?Electrical?Properties?of?Some?Rare?Earth?Based?Orthoferrites?Before?and?After?IrradiationSajad Ahmad Mir
92016.12.16E106Evolutionary Structure Prediction from Complex Crystals to Defects
复杂晶体和缺陷体系的演化结构预测
Qiang Zhu
82016.11.10E106Photochemistry, spectroscopy and mass spectrometry of protonated aromatics: gas-phase and liquid microdroplets
质子化芳香族气相和液相的光化学、光谱、质谱
Adam J. Trevitt
72016.10.27E106Computational Studies on Viral Hepatitis C drug targets
病毒性丙型肝炎药物靶点的计算研究
Thanyada Rungrotmongkol
62016.10.18E106How to successfully write and review scientific manuscripts
小型研讨会
Christian Schulz
52016.10.12E106Towards Generic Mathematical Descriptors for Structural Analysis and Their Applications in the Property Predictions for Molecular Crystals
建立对于分子晶体结构普适的数学描述符及其在物性预测上的应用
Jianliang Jack Yang
42016.9.26E106Structural and Electronic Transitions in Heavy Metal Oxides. Systems containing Technetium or Uranium
重金属氧化物的结构和电子相变
Brendan J. Kennedy
32016.9.21E106Photocarrier generation in cyanine films and bilayers
染料薄膜太阳能电池的光生载流子
Frank A. Nüesch
22016.9.19E106High dielectric constant elastomers for electromechanical applications
高介电弹性体和机电耦合应用
Frank A. Nüesch
12016.9.13E106Transparent organic photovoltaic cells and Sensors
透明有机光伏电池和传感器
Frank A. Nüesch


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