报告人简介：

  Hans Agren graduated 1979 as PhD in experimental atomic and molecular physics at the University of Uppsala, Sweden, under the supervision of Nobel laureate Kai Siegbahn. After a couple of PostDoc years in USA he became in 1981 assistant professor in Quantum Chemistry at Lund university. He became the first holder of the chairs in Computational Physics at Linköping University in 1991 and in Theoretical Chemistry at the Royal Institute of Technology (KTH), Stockholm, in 1998. He built the Department of Theoretical Chemistry and Biology at KTH which now houses ca 20 scientists and 44 PhD students,with research activities in theoretical modeling primarily in the areas of molecular/nano/bio photonics and electronics, in catalysis and X-ray science. The research is a mix of method development and problem oriented applications in collaboration with experimentalists. Hans Ågren participates in several national and international networks in his research areas. Among awarded prices, one can mention the  Swedish Bjurzon and Björn Roos awards and the Changjiang Distinguished Professorship awarded by the  Ministry of Education of China. Hans Ågren published 960 papers in international journals with 32950 citations, h-index = 86, and 36 review articles and book chapters.

摘要：

  The concept of multiscale modelling has became progressively more accepted as an engineering tool in science and technology. The most important variant of contemporary multiscale modelling is given by the combination of quantum mechanics and classical  physics, which, in a sense, gives the possibility to join the accuracy and rigour of the former with the applicability of the latter. It gives a possibility to find working approaches that can address the nanoscale, which is of obvious importance for materials science (nanotechnology) and life science (early stages of diseases and drug design), and where each of the two (quantum and classical) models by themselves has shortcomings. These quantum-classical approaches have secure applications in a wide variety of applied research areas, in chemistry, biotechnology, biomedicine and in materials research. In my talk I will shortly review some typical work in our lab of multiscale modelling of light-matter interaction for addressing general properties and spectroscpy of molecular systems in homogeneous and heterogeneous environments. Applications cover various types of spectroscopy and linear and nonlinear properties of molecules in solution, on surfaces, in confined biological environments or in combinations of such environments. I will highlight some recent applications on organic OLEDs, IR solar cells, doped

perovskites and 2D chalcogenides.

主 持 人：宋宏伟 教授

报告时间：2019年9月3日 15:30

报告地点：唐敖庆楼D311报告厅

主办单位：电子科学与工程学院

                 集成光电子学国家重点实验室

                 物质科学吉林省高校高端科技创新平台

                 国家高等学校学科创新引智基地