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Neyman, Konstantin M.
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ICREA Research Professor at UB (Universitat de Barcelona). Experimental Sciences & Mathematics
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Dr. Konstantin Neyman is an ICREA Research Professor at the "Departament de Química Física and the Institut de Química Teòrica i Computacional" of the Universitat de Barcelona, leading the group Reactivity of Nanostructures. He obtained his PhD in Chemistry from the Institute of Inorganic Chemistry in Novosibirsk and completed his Habilitation in Theoretical Chemistry at the Technische Universität München. He has published a book, 8 reviews, over 140 articles in highly-ranked journals and has made ~170 presentations at conferences and in universities, 70 of them as invited lectures. His publications have ca. 4000 ISI citations, h=37 (www.researcherid.com/rid/F-4055-2011). Before joining ICREA, Dr. Neyman held positions as a senior research associate in Germany: first at the TU München, then at the Ludwig-Maximilian Universität München and finally at the Fritz-Haber Institute of the Max-Planck Society in Berlin. He has contributed to attraction of funds for >30 research projects.
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Research Interests
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My research group deals with modelling of advanced, in particular nanostructured, materials important for catalysis, hydrogen technology, energy storage and related applications. A general aim is to understand at the atomic level, by carrying out large-scale quantum mechanical computer calculations, how the structure and composition of a material are related with its function in a given chemical process. It is often almost impossible to obtain this information experimentally, but its absence drastically hinders creation of materials with desired properties.
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Key Words
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computer modelling; electronic structure; advanced materials; nanostructures; reactivity; catalysis; hydrogen technology; energy storage; surface phenomena; understanding at the atomic level
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