Record link: 
http://hdl.handle.net/20.500.12708/139451
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Title: 
Combining effective harmonic potentials and a neural-network force field for the high-temperature HfO2 phase diagram
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Citation: 
Madsen, G. K. H., Bichelmaier, S., & Carrete Montana, J. (2022). Combining effective harmonic potentials and a neural-network force field for the high-temperature HfO2 phase diagram. In PSI-K 2022 Abstracts Book (pp. 92–93). http://hdl.handle.net/20.500.12708/139451
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Publication Type: 
Inproceedings - Abstract Book Contribution
en
Language: 
English
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Authors: 
Madsen, Georg Kent Hellerup 
Bichelmaier, Sebastian 
Carrete Montana, Jesús 
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Organisational Unit: 
E165-03 - Forschungsbereich Theoretische Chemie 
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Published in: 
PSI-K 2022 Abstracts Book 
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Date (published): 
23-Aug-2022
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Event name: 
Psi-I Conference 
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Event date: 
22-Aug-2022 - 25-Aug-2022
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Event place: 
Lausanne, Switzerland
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Number of Pages: 
2
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Keywords: 
Machine Learning; Effective harmonic potentials; Neural-network force field
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Research Areas: 
Quantum Modeling and Simulation: 20%
Materials Characterization: 40%
Computational Materials Science: 40%
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Science Branch: 
1040 - Chemie: 100%
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Appears in Collections:
Conference Paper

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