David Dubbeldam

University of Amsterdam — Netherlands

Chemistry · Physical Sciences

56h-index11.5kcitations212works4.72yr avg
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Research Topics

Metal-Organic Frameworks: Synthesis and Applications(73), Zeolite Catalysis and Synthesis(73), Phase Equilibria and Thermodynamics(51), Mesoporous Materials and Catalysis(23), Carbon Dioxide Capture Technologies(21)

Publications212 total

Review of group contribution methods for prediction of thermodynamic properties of long-chain hydrocarbons
Molecular Physics·2025· 1 cited
Matching pure and mixture isotherms using an invertible autoencoder
Molecular Physics·2025Open Access
Second-order group contribution method for <i>T</i> <sub>c</sub> , <i>P</i> <sub>c</sub> , <i>ω</i> , ΔGf0, ΔHf0 and liquid densities of linear and branched alkanes
Molecular Physics·2025Open Access
Machine Learning-Based Predictions of Henry Coefficients for Long-Chain Alkanes in One-Dimensional Zeolites: Application to Hydroisomerization
The Journal of Physical Chemistry C·2025Open Access
The RASPA2024 workshop in Delft, The Netherlands
Molecular Physics·2025· 1 cited
Implementation of energy and force grids in molecular simulations of porous materials
Molecular Physics·2025Open Access
Author response for "TAMOF-1 for Capture and Separation of the main Flue Gas Components"
2025
TAMOF-1 for capture and separation of the main flue gas components
Journal of Materials Chemistry A·2025· 2 citedOpen Access
Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization
Entropy·2024Open Access
Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials
Journal of Chemical Theory and Computation·2024· 19 cited
Prediction of Thermochemical Properties of Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization
The Journal of Physical Chemistry B·2024· 5 citedOpen Access
RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids
The Journal of Chemical Physics·2024· 17 citedOpen Access
Author response for "Effect of water loading on the stability of pristine and defected UiO-66"
2024
Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model
The Journal of Chemical Physics·2024· 4 citedOpen Access
The impact of metal centers in the M-MOF-74 series on carbon dioxide and hydrogen separation
Separation and Purification Technology·2024· 19 citedOpen Access
The Impact of Metal Centers in the M-Mof-74 Series on Carbon Dioxide and Hydrogen Separation
SSRN Electronic Journal·2024Open Access
Effect of water loading on the stability of pristine and defective UiO-66
Journal of Materials Chemistry A·2024· 12 citedOpen Access
A simulation study of linker vacancy distribution and its effect on UiO-66 stability
Microporous and Mesoporous Materials·2023· 5 citedOpen Access
RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models
Molecular Simulation·2023· 44 citedOpen Access
Enhancement of formic acid production from carbon dioxide hydrogenation using metal-organic frameworks: Monte Carlo simulation study
Chemical Engineering Journal·2023· 19 citedOpen Access
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Frequent Co-authors

Sofı́a Calero(20), Thijs J. H. Vlugt(15), Randall Q. Snurr(13), Berend Smit(13), Krista S. Walton(10), Rajamani Krishna(8), E. Beerdsen(7), Theo L. M. Maesen(6), D. E. Ellis(5), Jurn Heinen(5), Ariana Torres‐Knoop(4), Nicholas C. Burtch(4), Houston Frost(3), Almudena García-Sánchez(3), Elena García‐Pérez(3), Conchi O. Ania(2), J.B. Parra(2), Denise C. Ford(2), Markus Wehring(2), Jorge Gascón(2)