基本信息
浏览量:133
职业迁徙
个人简介
Konstantin Neyman is ICREA Professor at Dept. de Ciència de Materials i Química Física & Inst. 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 Inst. in Novosibirsk and completed Habilitation (Venia Legendi) in Theoretical Chemistry at TU München. He published a book, 9 book chapters, ca. 200 journal articles and made 360+ conference and university presentation, including140 invited lectures. His publications were cited ~9700 times in WoS, H = 55 and ~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.
Research interests
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.
Key words
computational modelling; electronic structure; advanced materials; nanostructures; reactivity; catalysis; hydrogen technology; energy storage; surface phenomena; understanding at the atomic level
Research interests
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.
Key words
computational modelling; electronic structure; advanced materials; nanostructures; reactivity; catalysis; hydrogen technology; energy storage; surface phenomena; understanding at the atomic level
研究兴趣
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ioChem-BD Computational Chemistry Datasets (2024)
JOURNAL OF CHEMICAL PHYSICSno. 12 (2024)
The journal of physical chemistry. C, Nanomaterials and interfacesno. 36 (2023): 17700-17710
Journal of Catalysis (2023): 285-299
ioChem-BD Computational Chemistry Datasets (2023)
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JOURNAL OF PHYSICAL CHEMISTRY Ano. 49 (2023): 10412-10424
JOURNAL OF CHEMICAL PHYSICSno. 9 (2022): 094709
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