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Christopher J. Heard

3 results in Authors: Christopher J. Heard

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

751

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3

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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

196

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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

134

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