David Dubbeldam

associate Professor

University Name

Netherlands

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Articles (18)

Implementation of energy and force grids in molecular simulations of porous materials

Article Link

Year:

2025

TAMOF-1 for capture and separation of the main flue gas components

Article Link

Year:

2025

RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids

Article Link

Year:

2024

The impact of metal centers in the M-MOF-74 series on carbon dioxide and hydrogen separation

Article Link

Year:

2024

Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model

Article Link

Year:

2024

Effect of water loading on the stability of pristine and defective UiO-66

Article Link

Year:

2024

Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials

Article Link

Year:

2024

Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization

Article Link

Year:

2024

RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models

Article Link

Year:

2023

Evaluation of ZIF-8 flexible force fields for structural and mechanical properties

Article Link

Year:

2023

Electro-osmotic Drag and Thermodynamic Properties of Water in Hydrated Nafion Membranes from Molecular Dynamics

Article Link

Year:

2022

The Influence of UiO‐66 Metal–Organic Framework Structural Defects on Adsorption and Separation of Hexane Isomers

Article Link

Year:

2022

Kinetics of zeolite-catalyzed heptane hydroisomerization and hydrocracking with CBMC-modeled adsorption terms: Zeolite Beta as a large pore base case

Article Link

Year:

2022

Modifying the hydrophobic nature of MAF-6

Article Link

Year:

2021

New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves

Article Link

Year:

2021

Recent advances in the continuous fractional component Monte Carlo methodology

Article Link

Year:

2021

Effect of Water Content on Thermodynamic Properties of Compressed Hydrogen

Article Link

Year:

2021

Competitive Adsorption of Xylenes at Chemical Equilibrium in Zeolites

Article Link

Year:

2021

Collaborators (9)

Mahinder Ramdin

Delft University of Technology

NETHERLANDS

Juan José Gutiérrez-Sevillano

University Pablo de Olavide

SPAIN

Wacław Makowski

professor

Uniwersytet Jagielloński w Krakowie

POLAND

Kaihang Shi

Assistant Professor

University at Buffalo

UNITED STATES

Sofia Calero

Eindhoven University of Technology

NETHERLANDS

Jose Manuel Vicent-Luna

Eindhoven University of Technology

NETHERLANDS

Remco Hartkamp

Assistant Professor

Delft University of Technology

NETHERLANDS

Azahara Luna-Triguero

Eindhoven University of Technology

NETHERLANDS

Alexey Lyulin

Prof. Dr. at Eindhoven University of Technology

Eindhoven University of Technology

NETHERLANDS

David Dubbeldam

Research Interests

Explore related searches

Contact this professor

Articles (18)

Implementation of energy and force grids in molecular simulations of porous materials

TAMOF-1 for capture and separation of the main flue gas components

RASPA3: A Monte Carlo code for computing adsorption and diffusion in nanoporous materials and thermodynamics properties of fluids

The impact of metal centers in the M-MOF-74 series on carbon dioxide and hydrogen separation

Understanding shape selectivity effects of hydroisomerization using a reaction equilibrium model

Effect of water loading on the stability of pristine and defective UiO-66

Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials

Computing Entropy for Long-Chain Alkanes Using Linear Regression: Application to Hydroisomerization

RUPTURA: simulation code for breakthrough, ideal adsorption solution theory computations, and fitting of isotherm models

Evaluation of ZIF-8 flexible force fields for structural and mechanical properties

Electro-osmotic Drag and Thermodynamic Properties of Water in Hydrated Nafion Membranes from Molecular Dynamics

The Influence of UiO‐66 Metal–Organic Framework Structural Defects on Adsorption and Separation of Hexane Isomers

Kinetics of zeolite-catalyzed heptane hydroisomerization and hydrocracking with CBMC-modeled adsorption terms: Zeolite Beta as a large pore base case

Modifying the hydrophobic nature of MAF-6

New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves

Recent advances in the continuous fractional component Monte Carlo methodology

Effect of Water Content on Thermodynamic Properties of Compressed Hydrogen

Competitive Adsorption of Xylenes at Chemical Equilibrium in Zeolites

Collaborators (9)

Mahinder Ramdin

Juan José Gutiérrez-Sevillano

Wacław Makowski

Kaihang Shi

Sofia Calero

Jose Manuel Vicent-Luna

Remco Hartkamp

Azahara Luna-Triguero

Alexey Lyulin

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