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Abstract：Clusters contain more than just some few atoms but not so many that they can be considered infinite. By varying their size, their properties can often be varied in a more or less controllable way. Often, however, the precise relation between size and property is largely unknown: the sizes of the systems are below the thermodynamic limit. Theoretical studies of such systems can provide relevant information, although in many cases idealized systems have to be treated. The challenge of such calculations is the combination of the relatively large size of the systems together with an often unknown structure. In this presentation, different theoretical methods for circumventing these problems shall be discussed. They shall be illustrated through applications on various types of clusters. These include isolated metal clusters with one or two types of atoms, metal clusters deposited on a surface, nanostructured HAlO, and semiconductor nanoparticles.

Michael Springborg教授简历

Michael Springborg，

男，1956年生，博士，德国萨尔兰大学教授，现任萨尔兰大学物理化学学院物理和理论化学研究所所长，院务会成员。

1982年于丹麦科技大学（Danish Technical University）获博士学位，

1982年至1986年于德国斯图加特Max-Planck固体物理研究所作博士后。

1986年至1989年在德国哥本哈根Nordita作博士后，

1988年10月至今任美国Los Alamos国家实验室科技顾问，

1989年至2000年任德国康斯坦大学（University of Konstanz）化学系高级研究员，2000年至今为德国萨尔兰大学（University of Saarland）物理化学系教授。

研究领域为材料的光电性能和结构理论计算方法及其发展应用，特别是聚合物、团簇化合物及纳米材料等的结构性能计算等，在国际学术刊物上发表论文200余篇。出版专著3本。Springborg教授发展了参数化的密度泛函结合无限制的理论接近方法计算聚合物或链状材料的性能，成为目前国际上解决同类问题最好的方法之一。

Michael Springborg, born in1956, full professor of Saarland University, Director of Institute of Physical Chemistry.

Diploma in engineering 1980 at Danish Technical University.PhD same place 1982. 1982-1986 Postdoc at Max-Planck-Institute of Solid State Physics, Stuttgart,Germany. 1986-1989 Postdoc at Nordita, Copenhagen.

Since October 1988 Consultant at Los Alamos National Laboratory, New Mexico, U.S.A.

1989-2000 Scientist at Dept. of Chemistry, University of Konstanz, Germany.

Since 2000 Professor of Physical Chemistry, University of Saarland, Germany.

Scientific interests: development and application of theoretical methods and accompanying computer codes for the calculation of electronic and structural properties of materials. In particular polymers/chain compounds as well as clusters/colloids. Moreover, of crystals, surfaces without and with adsorbants as well as photonic crystals. Finally, foundations of density-functional theory, and infinite systems exposed to external electric and magnetic fields. Developed a parameter-free methods for determining the structure and the properties of nanostructured materials, polymers and chain compounds. Worldwide, this new method is one of the best one for such problems. Author of 3 books and about 200 scientific papers.

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