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个人简介
The research profile of the Computational Materials Chemistry group ("Teoroo") is the development of multiscale methods to bring chemical modelling closer to the complex dynamical systems of the Real World. We are especially interested in nano-chemistry, catalysis, and hydration phenomena. With combinations of electronic structure methods, force fields, and MD methods, we explore dynamical phenomena on metal oxide surfaces and nanoparticles, and in aqueous media.
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The Journal of chemical physicsno. 23 (2024)
JOURNAL OF PHYSICAL CHEMISTRY Ano. 6 (2024): 1163-1172
JOURNAL OF CHEMICAL PHYSICSno. 19 (2023)
Stefan Heinen,Guido Falk von Rudorff,Konstantin Karandashev, Daniel Jose Arismendi Arrieta, Alastair J. A. Price, Surajit Nandi,Arghya Bhowmik,Kersti Hermansson,O. Anatole von Lilienfeld
Zenodo (CERN European Organization for Nuclear Research) (2023)
npj Computational Materialsno. 1 (2023): 1-15
arXiv (Cornell University) (2023)
Machine Learning: Science and Technologyno. 2 (2023): 025058
The Journal of chemical physicsno. 4 (2023)
Advanced Materials Interfacesno. 29 (2023): n/a-n/a
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