ir. Aran Lamaire
- ORCID iD
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0000-0003-0093-5490
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- Journal Article
- A1
- open access
Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites
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A computational understanding of nuclear quantum effects and the structural organisation of confined water in nanoporous materials
(2024) -
- Journal Article
- A2
- open access
Unraveling the mechanisms of zirconium metal-organic frameworks-based mixed-matrix membranes preventing polysulfide shuttling
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Nuclear quantum effects in proton transfer reactions
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- Journal Article
- A1
- open access
Quantum tunneling rotor as a sensitive atomistic probe of guests in a metal-organic framework
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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
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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Supporting data for "Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics"
(2022) -
- Journal Article
- A1
- open access
Truly combining the advantages of polymeric and zeolite membranes for gas separations