哈尔滨工业大学长江学者讲座教授Hans Ågren教授将于11月14日进行学术讲座，欢迎全校感兴趣的师生参加。

**讲座一**

**题目：****Controlling Light-Matter Interaction for Design of New Molecular Devices**

**时间：****2017****年****11****月****14****日（星期二）****10****:00-****12:00**

**地点：活动中心****334**

**摘要：**The concept of multiscale modelling has became progressively more accepted as an engineering tool in modern 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 accurately 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.

**讲座二**

**题目：****Multiscale/Multiphysics Modeling of Linear and Non-linear Optical Materials**

**时间：****2017****年****11****月****14****日（星期二）****14****:00-****16:00**

**地点：活动中心****334**

**摘要：**The field of non-linear optics is to a large extent driven and motivated by the anticipation of large technological dividends. The use of lasers in modern technology is now commonplace, ranging in application from high-density data storage on optical disks to improved surgical techniques in ophthalmology, neurosurgery, dermatology and biology imaging. Non-linear optics has also the potential to revolutionize future telecommunication and computer technologies. A new extension of non-linear optics and non-linear spectroscopy is biophotonics, which involves a fusion of photonics and biology. However, it is a common view that for future use more sophisticated understanding of the basic mechanisms underlying non-linear phenomena will be required.

Much of our current research on non-linear optical materials is based on a generalized multiscale quantum-classical modeling approach including hybrid density functional theory/molecular mechanics / polarizable continuum models, with full and seamless inter-layer interactions accounted for in the optical property calculations. A related concept to multiscale modeling is multiphysics modeling where we pipe data between models representing different physics theories, such as quantum mechanics, electrodynamics, statistical or classical mechanics and dielectric theory. We have used this to study optical materials – for example - optical power limiting materials though joining response theory/ time dependent density matrix / electrodynamics approaches – all-organic electro-optical switches (response theory and molecular dynamics) - multiphoton activated quantum dots (time-dependent Schrödinger equation and Monte Carlo), and - Kerr / Faraday materials (quantum mechanics and polarizable continuum model). In my talk I will highlight a few of these examples.

**Hans Ågren****教授简介**

Hans Ågren 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. Until 2017 he head the Department of Theoretical Chemistry and Biology at KTH which houses ca 20 scientists and 40 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. He is the receiver of the Swedish Bjurzon and Björn Roos' awards.