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R

Ralf Wanzenböck

Institute of Materials Chemistry

5H-index
23Paper Count
123Citation Count
Published Papers 8
Publication Date
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Structural optimization in TensErLEED using a parameter tree and R-factor gradients
errnpj Computational Materials
IF11.9
err2026-10-14
err0
errOAAI
errAlexandra M. Imre; Paul Haidegger; Florian Kraushofer; Ralf Wanzenböck; Tobias Hable; Sarah Tobisch; Marie Kienzer; Florian Buchner; Jesús Carrete; Georg K. H. Madsen; Michael Schmid; Ulrike Diebold; Michele Riva
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errSave
Completing the hierarchy of rotational defects in monolayer MoS2 through symmetry-aware evolutionary search
errPhys. Chem. Chem. Phys.
IF0
err2025-12-19
err0
errOAAI
errAlexander Adel; Ralf Wanzenböck; Georg K. H. Madsen
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errSave
Spatially Resolved Uncertainties for Machine Learning Potentials
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2024-08-07
err5
errOAAI
errHeid, Esther; Schoerghuber, Johannes; Wanzenboeck, Ralf; Madsen, Georg K. H.
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errSave
Clinamen2: Functional-style evolutionary optimization in Python for atomistic structure searches ☆
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2024-04-01
err2
errOAAI
errWanzenboeck, Ralf; Buchner, Florian; Kovacs, Peter; Madsen, Georg K. H.; Carrete, Jesus
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errSave
Exploring inhomogeneous surfaces: Ti-rich SrTiO3(110) reconstructions via active learning
errDIGITAL DISCOVERY
IF5.6
err2024-01-01
err0
errOAAI
errWanzenboeck, Ralf; Heid, Esther; Riva, Michele; Franceschi, Giada; Imre, Alexander M.; Carrete, Jesus; Diebold, Ulrike; Madsen, Georg K. H.
errShare
errSave
Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-05-22
err25
errOAAI
errCarrete, Jesus; Montes-Campos, Hadrian; Wanzenboeck, Ralf; Heid, Esther; Madsen, Georg K. H.
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errSave
Neural-network-backed effective harmonic potential study of the ambient pressure phases of hafnia
errPHYSICAL REVIEW B
IF3.7
err2023-05-17
err4
PREAI
errBichelmaier, Sebastian; Carrete, Jesus; Wanzenboeck, Ralf; Buchner, Florian; Madsen, Georg K. H.
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errSave
Neural-network-backed evolutionary search for SrTiO3(110) surface reconstructions
errDIGITAL DISCOVERY
IF5.6
err2022-01-01
err16
errOAAI
errWanzenboeck, Ralf; Arrigoni, Marco; Bichelmaier, Sebastian; Buchner, Florian; Carrete, Jesus; Madsen, Georg K. H.
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errSave

Research Directions

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Co-authors
Cooperation Journals
M
Michael Schmid
H-index: 97 · Papers: 978
U
Ulrike Diebold
H-index: 84 · Papers: 435
G
Georg K. H. Madsen
H-index: 51 · Papers: 250
J
Jesús Carrete
H-index: 49 · Papers: 217
E
Esther Heid
H-index: 21 · Papers: 102
View more