Detlef W. M. Hofmann

Position: Researcher

Detlef W.M. Hofmann is senior researcher in the group of Renewable Energy at the Center for Advanced Studies, Research, and Development in Sardinia (CRS4), Italy since 2005. He holds a doctor degree (1991) in Theoretical Chemistry at the University of Erlangen/Nuremberg in the Dept. of theoretical chemistry under Prof. Dr. Dr. h. c. J. Ladik. At the beginning of his scientific carrier he worked together with world famous scientists such as J. Ladik, G. Del Re, E. Clementi, and T. Lengauer, who highly estimated his abilities and helped to look on problem from the different point of views and to provide an open view to new fields. Nowadays, Detlef W.M. Hofmann is a leading scientist in the field of information retrieval from data bases of computational chemistry and crystallography. He belongs to the first researchers, who proposed 15 years ago to use data mining in systematic way to parameterize chemical models. He has adapted different methods of information retrieval for several applications, i.e., crystal structure prediction, density estimation of chemical systems, force field for molecular simulation and crystal design, and a reactive force field for simulation of proton transport in proton conducting medias. Another field of his research, connected with the information retrieval, became the cleaning of data bases. By nearly 30 years experience of computing on supercomputers and on enlarged computer clusters he has obtained a profound knowledge about the encoding of algorithms in optimal way to achieve high performance. Presently, together with a small group of researchers he works on molecular modeling in the fields of Renewable Energy and Cheminformatics. His latest research concerns a creating of a new efficient schemes for %u201Cin silico%u201D prediction of drug properties.

Publications at CRS4
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