Research Explorer

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Researcher

Ruben Goeminne

Awards & Distinctions

9 Results

2024

Computational Modeling of Reticular Materials: The Past, the Present, and the Future

Wim TemmermanRuben GoeminneKuber Singh RawatVeronique Van Speybroeck

U Journal Article in Advanced Materials

Gas adsorption and framework flexibility of CALF-20 explored via experiments and simulations

Rama OktavianRuben GoeminneLawson T. GlasbyPing SongRacheal HuynhOmid Taheri QazviniOmid Ghaffari-NikNima MasoumifardJoan L. CordinerPierre Hovington et al.

A1 Journal Article in NATURE COMMUNICATIONS

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

2023

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

Development of accurate and reliable methods for in silico modeling of adsorption in nanoporous materials

Ruben GoeminneToon Verstraelen

Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics

Massimo BocusRuben GoeminneAran LamaireMaarten Cools-CeuppensToon VerstraelenVeronique Van Speybroeck

A1 Journal Article in NATURE COMMUNICATIONS

2022

Accurately determining the phase transition temperature of CsPbI3 via random-phase approximation calculations and phase-transferable machine learning potentials

Tom BraeckeveltRuben GoeminneSander VandenhauteSander BorgmansToon VerstraelenJulian A. SteeleMaarten B. J. RoeffaersJohan HofkensSven RoggeVeronique Van Speybroeck

A1 Journal Article in CHEMISTRY OF MATERIALS

2021

Charting the complete thermodynamic landscape of gas adsorption for a responsive metal–organic framework

Ruben GoeminneSimon KrauseStefan KaskelToon VerstraelenJack D. Evans

A1 Journal Article in JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

2019

Modeling gas adsorption in flexible metal-organic frameworks via hybrid Monte Carlo/molecular dynamics schemes

Sven RoggeRuben GoeminneRuben DemuynckJuan José Gutiérrez SevillanoSteven VandenbrandeLouis VanduyfhuysMichel WaroquierToon VerstraelenVeronique Van Speybroeck

A1 Journal Article in ADVANCED THEORY AND SIMULATIONS