Record link: 
http://hdl.handle.net/20.500.12708/154153
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Title: 
Dynamic Modelling of Active Sites in Heterogeneous Catalysis
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Citation: 
Comas-Vives, A. (2022, December 9). Dynamic Modelling of Active Sites in Heterogeneous Catalysis [Presentation]. Habilitations’ Introductory Lecture, GM 5 Praktikumshörsaal, Plus-Energie-Büro-Hochhaus, Getreidemarkt 9, Bauteil BA, Hochhaus, 2.UG, Austria.
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Publication Type: 
Presentation - Presentation
en
Language: 
English
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Authors: 
Comas-Vives, Aleix 
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Organisational Unit: 
E165-03-1 - Forschungsgruppe Theoretische Materialchemie 
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Date (published): 
9-Dec-2022
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Event name: 
Habilitations' Introductory Lecture 
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Event date: 
9-Dec-2022
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Event place: 
GM 5 Praktikumshörsaal, Plus-Energie-Büro-Hochhaus, Getreidemarkt 9, Bauteil BA, Hochhaus, 2.UG, Austria
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Keywords: 
DFT Calculations; Multiscale Modelling; Machine Learning; Ab Initio Molecular Dynamics
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Research Areas: 
Metallic Materials: 25%
Quantum Modeling and Simulation: 50%
Surfaces and Interfaces: 25%
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Science Branch: 
1040 - Chemie: 75%
1030 - Physik, Astronomie: 25%
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