ir. Maarten Cools-Ceuppens
No current affiliation with UGent
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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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Incorporating long-range interactions and polarization in machine learning potentials with explicit electrons
(2022) -
- Journal Article
- A1
- open access
Modeling electronic response properties with an explicit-electron machine learning potential
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- Journal Article
- A1
- open access
IOData: A python library for reading, writing, and converting computational chemistry file formats and generating input files