Christopher J. Heard

Charles University — Czech Republic

Chemistry · Physical Sciences

22h-index1.6kcitations89works4.02yr avg
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Research Topics

Zeolite Catalysis and Synthesis(38), Catalytic Processes in Materials Science(27), Machine Learning in Materials Science(17), Advanced Chemical Physics Studies(12), Advanced NMR Techniques and Applications(12)

Publications89 total

Prediction of aluminium distributions in zeolites using basin-hopping and machine learning potentials
2026Open Access
Prediction of aluminium distributions in zeolites using basin-hopping and machine learning potentials
2026Open Access
Water Adsorption at Pairs of Proximate Brønsted Acid Sites in Zeolites
The Journal of Physical Chemistry Letters·2026Open Access
Aluminium siting in zeolite RTH from a combined machine learning – NMR approach
Journal of Materials Chemistry A·2026Open Access
Mobility and sintering of silica-supported platinum clusters via reactive neural network potentials
Journal of Catalysis·2025· 1 cited
In Situ Single-Crystal X-ray Diffraction Studies of an Anomalous Nitric Oxide Adsorption in a Partially Activated Metal–Organic Framework
Journal of the American Chemical Society·2025· 3 citedOpen Access
Mobility and Sintering of Silica-Supported Platinum Clusters via Reactive Neural Network Potentials
2025· 1 citedOpen Access
Aluminum Siting in Zeolite RTH From a Combined Machine Learning - NMR Approach
2025· 1 citedOpen Access
Mobility and Sintering of Silica-Supported Platinum Clusters Via Reactive Neural Network Potentials
SSRN Electronic Journal·2025Open Access
<sup>27</sup> Al NMR chemical shifts in zeolite MFI <i>via</i> machine learning acceleration of structure sampling and shift prediction
Digital Discovery·2024· 7 citedOpen Access
Author response for "&lt;sup&gt;27&lt;/sup&gt;Al NMR chemical shifts in zeolite MFI via machine learning acceleration of structure sampling and shift prediction"
2024
27Al NMR chemical shifts in zeolite MFI via machine learning acceleration of structure sampling and shift prediction
2024· 1 citedOpen Access
Germanium Distributions in Zeolites Derived from Neural Network Potentials.
2024· 1 citedOpen Access
The role of defects in high-silica zeolite hydrolysis and framework healing
Microporous and Mesoporous Materials·2024· 6 cited
A machine learning approach for dynamical modelling of Al distributions in zeolites <i>via</i><sup>23</sup>Na/<sup>27</sup>Al solid-state NMR
Faraday Discussions·2024· 4 citedOpen Access
A reactive neural network framework for water-loaded acidic zeolites
Nature Communications·2024· 35 citedOpen Access
iADOR yields diverse shape-selective solid Lewis acid catalysts
Applied Materials Today·2024· 1 citedOpen Access
Oxygen exchange mechanisms in zeolite chabazite under steaming conditions
Microporous and Mesoporous Materials·2024· 5 cited
Migration of zeolite-encapsulated subnanometre platinum clusters <i>via</i> reactive neural network potentials
Nanoscale·2024· 13 citedOpen Access
Germanium distributions in zeolites derived from neural network potentials
Catalysis Science & Technology·2024· 5 citedOpen Access
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Frequent Co-authors

Lukáš Grajciar(21), Petr Nachtigall(19), Roy L. Johnston(13), Andreas Erlebach(11), Henrik Grönbeck(6), Indranil Saha(6), Jiřı́ Čejka(5), Mengting Jin(4), Lei Chen(4), Dianwei Hou(4), Štefan Vajda(3), Armin Shayeghi(3), Rolf Schäfer(3), Federico Brivio(3), Zdeněk Tošner(3), Piero Ferrari(3), Peter Lievens(3), Ewald Janssens(3), Josef Breu(3), Mingxiu Liu(3)