David Dubbeldam
Universiteit van Amsterdam
H-index: 52
Europe-Netherlands
Top articles of David Dubbeldam
Title | Journal | Author(s) | Publication Date |
|---|---|---|---|
The impact of metal centers in the M-MOF-74 series on carbon dioxide and hydrogen separation | Separation and Purification Technology | Dominika O Wasik José Manuel Vicent-Luna Azahara Luna-Triguero David Dubbeldam Thijs JH Vlugt | 2024/7/2 |
A simulation study of linker vacancy distribution and its effect on UiO-66 stability | Microporous and Mesoporous Materials | Esteban Acuna-Yeomans Juan José Gutiérrez-Sevillano David Dubbeldam Sofia Calero | 2024/2/15 |
Modelling of adsorbate-size dependent explicit isotherms using a segregated approach to account for surface heterogeneities | Molecular Physics | Shrinjay Sharma Marcello S Rigutto Richard Baur Umang Agarwal Erik Zuidema | 2023/10/18 |
Enhancement of formic acid production from carbon dioxide hydrogenation using metal-organic frameworks: Monte Carlo simulation study | Chemical Engineering Journal | Dominika O Wasik Ana Martín-Calvo Juan José Gutiérrez-Sevillano David Dubbeldam Thijs JH Vlugt | 2023/7/1 |
RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models | Molecular Simulation | Shrinjay Sharma Salvador RG Balestra Richard Baur Umang Agarwal Erik Zuidema | 2023/6/13 |
Evaluation of ZIF-8 flexible force fields for structural and mechanical properties | Microporous and Mesoporous Materials | Esteban Acuna-Yeomans JJ Gutierrez-Sevillano S Calero D Dubbeldam | 2023/1/15 |
The Influence of UiO‐66 Metal–Organic Framework Structural Defects on Adsorption and Separation of Hexane Isomers | Chemistry–A European Journal | Andrzej Sławek Gabriela Jajko Karolina Ogorzały David Dubbeldam Thijs JH Vlugt | 2022/5/19 |
Electro-osmotic drag and thermodynamic properties of water in hydrated nafion membranes from molecular dynamics | The Journal of Physical Chemistry C | Ahmadreza Rahbari Remco Hartkamp Othonas A Moultos Albert Bos Leo JP Van Den Broeke | 2022/5/3 |
Kinetics of zeolite-catalyzed heptane hydroisomerization and hydrocracking with CBMC-modeled adsorption terms: Zeolite Beta as a large pore base case | Journal of Catalysis | Umang Agarwal Marcello S Rigutto Erik Zuidema APJ Jansen Ali Poursaeidesfahani | 2022/11/1 |
Molecular simulations of adsorption and diffusion in crystalline nanoporous materials | David Dubbeldam Sofia Calero Thijs JH Vlugt Randall Q Snurr | 2021 | |
RASPA 2.0: molecular software package for adsorption and diffusion in (flexible) nanoporous materials | David Dubbeldam Sofia Calero DE Ellis RQ Snurr | 2021/5/23 | |
Effect of water content on thermodynamic properties of compressed hydrogen | Journal of Chemical & Engineering Data | Ahmadreza Rahbari Julio C Garcia-Navarro Mahinder Ramdin Leo JP Van Den Broeke Othonas A Moultos | 2021/4/9 |
Competitive adsorption of xylenes at chemical equilibrium in zeolites | The Journal of Physical Chemistry C | Sebastián Caro-Ortiz Erik Zuidema Marcello Rigutto David Dubbeldam Thijs JH Vlugt | 2021/2/10 |
Modifying the hydrophobic nature of MAF-6 | Separation and Purification Technology | Juan José Gutiérrez-Sevillano Ana Martin-Calvo David Dubbeldam Sofia Calero | 2021/12/15 |
Correction: Role of additives and solvents in the synthesis of chiral isoreticular MOF-74 topologies | Dalton Transactions | Andreea Gheorghe Suzanne Reus Mark Koenis David Dubbeldam Sander Woutersen | 2021 |
New features of the open source Monte Carlo software brick-CFCMC: Thermodynamic integration and hybrid trial moves | Journal of Chemical Information and Modeling | H Mert Polat Hirad S Salehi Remco Hens Dominika O Wasik Ahmadreza Rahbari | 2021/8/12 |
Role of additives and solvents in the synthesis of chiral isoreticular MOF-74 topologies | Dalton Transactions | Andreea Gheorghe Suzanne Reus Mark Koenis David Dubbeldam Sander Woutersen | 2021 |
Recent advances in the continuous fractional component Monte Carlo methodology | A Rahbari R Hens M Ramdin OA Moultos D Dubbeldam | 2021/7/24 | |
In situ visualization of loading-dependent water effects in a stable metal–organic framework | Nature Chemistry | Nicholas C Burtch Ian M Walton Julian T Hungerford Cody R Morelock Yang Jiao | 2020/2 |
Multiple free energy calculations from single state point continuous fractional component Monte Carlo simulation using umbrella sampling | Journal of chemical theory and computation | Ahmadreza Rahbari Remco Hens Othonas A Moultos David Dubbeldam Thijs JH Vlugt | 2020/1/30 |
