Research Explorer

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Project

Moonrise: Hybrid membrane/sorption technology for more efficient C2 and C3 separations

Outputs & Impact

Publications & research data ( 12 )

MLPs designed for diffusivity of ethane and ethene in ZIF-8 at DFT accuracy

Bernd SchmidtVeronique Van SpeybroeckLouis Vanduyfhuys

Design of a tunable, high-performance mixed matrix membrane platform for gas separations

Xiaoyu TanSven RobijnsAran LamaireRuben GoeminneNiels De WitteMarcel DickmannRhea VerbekeTom Van der DonckRodrigo de Oliveira SilvaQuanli Ke et al.

A1 Journal Article in ADVANCED MATERIALS

Diffusion of light olefins through ZIF-8 unraveled by machine learning potentials

Bernd SchmidtVeronique Van SpeybroeckLouis Vanduyfhuys

Ab initio predictions of adsorption in flexible metal-organic frameworks for water harvesting applications

Ruben GoeminneVeronique Van Speybroeck

A1 Journal Article in JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Computational modeling of reticular materials : the past, the present, and the future

Wim TemmermanRuben GoeminneKuber Singh RawatVeronique Van Speybroeck

A1 Journal Article in ADVANCED MATERIALS

Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites

Aran LamaireJelle WiemeSander VandenhauteRuben GoeminneSven RoggeVeronique Van Speybroeck

A1 Journal Article in NATURE COMMUNICATIONS

In-depth thermodynamic and kinetic analysis of ethane diffusion in ZIF-8

Bernd SchmidtPieter CnuddeVeronique Van SpeybroeckLouis Vanduyfhuys

A1 Journal Article in JOURNAL OF PHYSICAL CHEMISTRY C

Reaching quantum accuracy in predicting adsorption properties for ethane/ethene in zeolitic imidazolate framework-8 at low pressure regime

Siddharth RavichandranMahsa NajafiRuben GoeminneJoeri F. M. DenayerVeronique Van SpeybroeckLouis Vanduyfhuys

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

High-throughput screening of covalent organic frameworks for carbon capture using machine learning

Juul De VosSiddharth RavichandranSander BorgmansLouis VanduyfhuysPascal Van Der VoortSven RoggeVeronique Van Speybroeck

A1 Journal Article in CHEMISTRY OF MATERIALS

A molecular dynamics study on light olefin diffusion in ZIF-8

Bernd SchmidtVeronique Van SpeybroeckLouis Vanduyfhuys

Light olefin diffusion in ZIF-8 : a balance between enthalpy and entropy

Bernd SchmidtVeronique Van SpeybroeckLouis Vanduyfhuys

DFT-quality adsorption simulations in metal-organic frameworks enabled by machine learning potentials

Ruben GoeminneLouis VanduyfhuysVeronique Van SpeybroeckToon Verstraelen

A1 Journal Article in JOURNAL OF CHEMICAL THEORY AND COMPUTATION

Activities ( 0 )

Results

Impact narratives ( 0 )

Patents ( 0 )