Konstantin Neyman is ICREA Professor at Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional, Universitat de Barcelona, leading Reactivity of Nanostructures group. Dr Neyman completed Habilitation (Venia Legendi) in Theoretical Chemistry at TU München. He published a book, 9 book chapters, 212 research articles and made several hundred conference and university presentations, including 160+ invited lectures. His publications were cited 14500 times in GoogleScholar, H=67. Before joining ICREA, Dr. Neyman held research positions in Germany at TU München, LMU München and Fritz-Haber-Institut (Berlin). He contributed to funding 45 research projects. Recent awards: Nanyang TU Invited Visiting Professor (SG), Chalmers Jubilee Professor (SE), Uppsala Uni. Visiting Professor (SE), Uni. Erlangen-Nuremberg Invited Scientist (DE), TU Vienna Guest-Professor (AT).

The research group Reactivity of Nanostructures of Dr. Neyman at the Universitat de Barcelona deals with computational modelling of advanced, in particular, nanostructured inorganic 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 hardly possible to obtain this information experimentally. Yet, its absence drastically hinders knowledge-driven creation of materials with desired improved properties.