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5 results in Authors: Andreas Erlebach

Migration of Zeolite-Encapsulated Subnanometre Platinum Clusters via Reactive Neural Network Potentials

Christopher Heard, Lukáš Grajciar, Andreas Erlebach

Version 1 posted 07 December 2023

154

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Materials Science

Germanium Distributions in Zeolites Derived from Neural Network Potentials.

Indranil Saha, Andreas Erlebach, Petr Nachtigall, Christopher J. Heard, Lukáš Grajciar

Version 1 posted 19 June 2024

148

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Materials Science

Quantifying the effect of Si/Al ratio on proton solvation and water diffusion in H-FAU using reactive neural network potential.

Indranil Saha, Andreas Erlebach, Petr Nachtigall, Christopher J. Heard, Lukáš Grajciar

Version 3 posted 12 July 2023

716

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3

Citations

Materials Science

The need for operando modelling of 27Al NMR in zeolites

Chen Lei, Andreas Erlebach, Federico Brivio, Lukas Grajciar, Zdeněk Tošner, Christopher Heard, Petr Nachtigall

Version 1 posted 09 March 2023

262

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1

Citations

Theoretical and Computational Chemistry

27Al NMR chemical shifts in zeolite MFI via machine learning acceleration of structure sampling and shift prediction

Daniel Willimetz, Andreas Erlebach, Christopher J. Heard, Lukáš Grajciar

Version 1 posted 24 September 2024

94

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