ir. Maarten Cools-Ceuppens
No current affiliation with UGent
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Explicit electrons in machine learning potentials
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Nuclear quantum effects in proton transfer reactions
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Physical constraints on polarization and charge transport in machine-learning potentials
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- Journal Article
- A1
- open access
Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics
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- Journal Article
- A1
- open access
Machine learning potentials for metal-organic frameworks using an incremental learning approach
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- Journal Article
- A1
- open access
Quantum free energy profiles for molecular proton transfers
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The influence of nuclear quantum effects on proton hopping kinetics in the H-SSZ-13 zeolite through ab initio derived machine learning potentials
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Machine learning potentials for metal-organic frameworks with thermodynamic transferability
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A physically sound basis for polarization in machine-learning force fields
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Physically sound long-range interactions in machine-learning potentials