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Physical Chemistry Chemical Physics : PCCP
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December 18, 2025
Completing the hierarchy of rotational defects in monolayer MoS<sub>2</sub> through symmetry-aware evolutionary search
Alexander Adel, Ralf Wanzenböck, Georg K H Madsen
Journal of Chemical Information and Modeling
|
August 7, 2024
Spatially Resolved Uncertainties for Machine Learning Potentials
Esther Heid, Johannes Schörghuber, Ralf Wanzenböck, et al.
Journal of Chemical Information and Modeling
|
June 25, 2026
Guided Adaptive Diffusion: An Evolutionary Framework for Multimodal Atomistic Structure Prediction
Alexander Adel, Jakub Szmitek, Benedikt Hartl, et al.
The Journal of Chemical Physics
|
May 22, 2023
Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning
Jesús Carrete, Hadrián Montes-Campos, Ralf Wanzenböck, et al.
Digital Discovery
|
November 3, 2022
Neural-network-backed evolutionary search for SrTiO<sub>3</sub>(110) surface reconstructions
Ralf Wanzenböck, Marco Arrigoni, Sebastian Bichelmaier, et al.
Digital Discovery
|
October 4, 2024
Exploring inhomogeneous surfaces: Ti-rich SrTiO<sub>3</sub>(110) reconstructions <i>via</i> active learning
Ralf Wanzenböck, Esther Heid, Michele Riva, et al.
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of 1
Search research articles
Search
Showing results (1-10 of 6) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
December 18, 2025
Completing the hierarchy of rotational defects in monolayer MoS<sub>2</sub> through symmetry-aware evolutionary search
Alexander Adel, Ralf Wanzenböck, Georg K H Madsen
Journal of Chemical Information and Modeling
|
August 7, 2024
Spatially Resolved Uncertainties for Machine Learning Potentials
Esther Heid, Johannes Schörghuber, Ralf Wanzenböck, et al.
Journal of Chemical Information and Modeling
|
June 25, 2026
Guided Adaptive Diffusion: An Evolutionary Framework for Multimodal Atomistic Structure Prediction
Alexander Adel, Jakub Szmitek, Benedikt Hartl, et al.
The Journal of Chemical Physics
|
May 22, 2023
Deep ensembles vs committees for uncertainty estimation in neural-network force fields: Comparison and application to active learning
Jesús Carrete, Hadrián Montes-Campos, Ralf Wanzenböck, et al.
Digital Discovery
|
November 3, 2022
Neural-network-backed evolutionary search for SrTiO<sub>3</sub>(110) surface reconstructions
Ralf Wanzenböck, Marco Arrigoni, Sebastian Bichelmaier, et al.
Digital Discovery
|
October 4, 2024
Exploring inhomogeneous surfaces: Ti-rich SrTiO<sub>3</sub>(110) reconstructions <i>via</i> active learning
Ralf Wanzenböck, Esther Heid, Michele Riva, et al.
Page
of 1