Konstantin Neyman is ICREA Professor at Dept. de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional, Universitat de Barcelona, leading the group Reactivity of Nanostructures (31/12/2021: 2 Drs.+3 PhD students). He obtained PhD from Inorganic Chemistry Institute in Novosibirsk and completed Habilitation (Venia Legendi) in Theoretical Chemistry at TU München. He published a book, 9 book chapters, ~200 research journal articles and made 360+ conference and university presentation, including140+ invited lectures. His publications were cited ~9900 times in WoS, H = 55 and over 12000 times in GoogleScholar, H = 62. Before joining ICREA, Dr. Neyman held senior research positions in Germany at TU München, Ludwig-Maximilian Universität München and Fritz-Haber-Institut (Berlin). He contributed to funding of 40+ research projects. Recipient of recent Chalmers Jubilee Professor and Uppsala University Visiting Professor awards.
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.