David Dubbeldam

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2015-2022
Publications (10 Years): 15

Top Venues

Journal of chemical theory and computation

ACS applied materials & interfaces

Journal of chemical information and modeling

The journal of physical chemistry. C, Nanomaterials and interfaces

David Dubbeldam

This page only lists publications with an associated author ORCID identifier.

Affiliation History

David Dubbeldam Jan 1o 2009

Netherlands

associate Professor :: Van 't Hoff Institute for Molecular Sciences

Publications

Andrzej Sławek, Gabriela Jajko, Karolina Ogorzały, David Dubbeldam, Thijs J H Vlugt, Wacław Makowski
The Influence of UiO-66 Metal-Organic Framework Structural Defects on Adsorption and Separation of Hexane Isomers. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (29) (2022)
Ahmadreza Rahbari, Remco Hartkamp, Othonas A Moultos, Albert Bos, Leo J P van den Broeke, Mahinder Ramdin, David Dubbeldam, Alexey V Lyulin, Thijs J H Vlugt
Electro-osmotic Drag and Thermodynamic Properties of Water in Hydrated Nafion Membranes from Molecular Dynamics. The journal of physical chemistry. C, Nanomaterials and interfaces 126 (18) (2022)
Andreea Gheorghe, Suzanne Reus, Mark A J Koenis, David Dubbeldam, Sander Woutersen, Stefania Tanase
Role of additives and solvents in the synthesis of chiral isoreticular MOF-74 topologies. Dalton transactions (Cambridge, England : 2003) 50 (35) (2021)
Ahmadreza Rahbari, Julio C Garcia-Navarro, Mahinder Ramdin, Leo J P van den Broeke, Othonas A Moultos, David Dubbeldam, Thijs J H Vlugt
Effect of Water Content on Thermodynamic Properties of Compressed Hydrogen. Journal of chemical and engineering data 66 (5) (2021)
H Mert Polat, Hirad S Salehi, Remco Hens, Dominika O Wasik, Ahmadreza Rahbari, Frédérick de Meyer, Céline Houriez, Christophe Coquelet, Sofía Calero, David Dubbeldam, Othonas A Moultos, Thijs J H Vlugt
New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves. Journal of chemical information and modeling 61 (8) (2021)
Remco Hens, Ahmadreza Rahbari, Sebastián Caro-Ortiz, Noura Dawass, Máté Erdős, Ali Poursaeidesfahani, Hirad S Salehi, Alper T Celebi, Mahinder Ramdin, Othonas A Moultos, David Dubbeldam, Thijs J H Vlugt
Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method. Journal of chemical information and modeling 60 (6) (2020)
Ahmadreza Rahbari, Remco Hens, Othonas A Moultos, David Dubbeldam, Thijs J H Vlugt
Multiple Free Energy Calculations from Single State Point Continuous Fractional Component Monte Carlo Simulation Using Umbrella Sampling. Journal of chemical theory and computation 16 (3) (2020)
Yiwen Tang, David Dubbeldam, Xingmei Guo, Gadi Rothenberg, Stefania Tanase
Efficient Separation of Ethanol-Methanol and Ethanol-Water Mixtures Using ZIF-8 Supported on a Hierarchical Porous Mixed-Oxide Substrate. ACS applied materials & interfaces 11 (23) (2019)
Yiwen Tang, David Dubbeldam, Stefania Tanase
Water-Ethanol and Methanol-Ethanol Separations Using in Situ Confined Polymer Chains in a Metal-Organic Framework. ACS applied materials & interfaces 11 (44) (2019)
Nicholas C Burtch, Ian M Walton, Julian T Hungerford, Cody R Morelock, Yang Jiao, Jurn Heinen, Yu-Sheng Chen, Andrey A Yakovenko, Wenqian Xu, David Dubbeldam, Krista S Walton
In situ visualization of loading-dependent water effects in a stable metal-organic framework. Nature chemistry 12 (2) (2019)
Jurn Heinen, Austin D Ready, Thomas Douglas Bennett, David Dubbeldam, Raymond W Friddle, Nicholas C Burtch
Elucidating the Variable-Temperature Mechanical Properties of a Negative Thermal Expansion Metal-Organic Framework. ACS applied materials & interfaces 10 (25) (2018)
Jurn Heinen, Nicholas C Burtch, Krista S Walton, David Dubbeldam
Flexible Force Field Parameterization through Fitting on the Ab Initio-Derived Elastic Tensor. Journal of chemical theory and computation 13 (8) (2017)
Ariana Torres-Knoop, Ali Poursaeidesfahani, Thijs J H Vlugt, David Dubbeldam
Behavior of the Enthalpy of Adsorption in Nanoporous Materials Close to Saturation Conditions. Journal of chemical theory and computation 13 (7) (2017)
Ali Poursaeidesfahani, Remco Hens, Ahmadreza Rahbari, Mahinder Ramdin, David Dubbeldam, Thijs J H Vlugt
Efficient Application of Continuous Fractional Component Monte Carlo in the Reaction Ensemble. Journal of chemical theory and computation 13 (9) (2017)
Jose Manuel Vicent-Luna, David Dubbeldam, Paula Gómez-Álvarez, Sofía Calero
Aqueous Solutions of Ionic Liquids: Microscopic Assembly. Chemphyschem : a European journal of chemical physics and physical chemistry 17 (3) (2015)

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Publication Activity (10 Years)

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David Dubbeldam