David Dubbeldam
Affiliations: | University of Amsterdam, Amsterdam, Netherlands |
Area:
Computational ChemistryWebsite:
http://molsim.chem.uva.nl/users/dubbeldam/index.htmlGoogle:
"David Dubbeldam"Mean distance: 9.8 | S | N | B | C | P |
Cross-listing: MathTree
Parents
Sign in to add mentor| Berend Smit | grad student | 2005 | Amsterdam | |
| (Computer-simulation of adsorption and diffusion of hydrocarbons in zeolites) | ||||
| Randall Q. Snurr | post-doc | 2006-2008 | Northwestern | |
Children
Sign in to add trainee| Salvador Rodríguez-Gómez Balestra | grad student | Amsterdam (Physics Tree) | |
| Sebastián Caro Ortiz | grad student | Amsterdam |
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Publications
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| Rahbari A, Hartkamp R, Moultos OA, et al. (2022) 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: 8121-8133 |
| Sławek A, Jajko G, Ogorzały K, et al. (2022) The Influence of UiO-66 Metal-Organic Framework Structural Defects on Adsorption and Separation of Hexane Isomers. Chemistry (Weinheim An Der Bergstrasse, Germany). e202200030 |
| Polat HM, Salehi HS, Hens R, et al. (2021) New Features of the Open Source Monte Carlo Software Brick-CFCMC: Thermodynamic Integration and Hybrid Trial Moves. Journal of Chemical Information and Modeling |
| Rahbari A, Garcia-Navarro JC, Ramdin M, et al. (2021) Effect of Water Content on Thermodynamic Properties of Compressed Hydrogen. Journal of Chemical and Engineering Data. 66: 2071-2087 |
| Caro-Ortiz S, Zuidema E, Rigutto M, et al. (2021) Competitive Adsorption of Xylenes at Chemical Equilibrium in Zeolites. The Journal of Physical Chemistry. C, Nanomaterials and Interfaces. 125: 4155-4174 |
| Tanase-Grecea S, Gheorghe A, Dubbeldam D, et al. (2020) Synthesis of chiral MOF-74 frameworks by post-synthetic modification using an amino acid. Chemistry (Weinheim An Der Bergstrasse, Germany) |
| Hens R, Rahbari A, Caro-Ortiz S, et al. (2020) 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 |
| Rahbari A, Hens R, Moultos OA, et al. (2020) Multiple free energy calculations from single state point Continuous Fractional Component Monte Carlo simulation using umbrella sampling. Journal of Chemical Theory and Computation |
| Caro-Ortiz S, Zuidema E, Dekker D, et al. (2020) Adsorption of Aromatics in MFI-type Zeolites: Experiments and Framework Flexibility in Monte Carlo Simulations Journal of Physical Chemistry C |
| Rahbari A, Josephson TR, Sun Y, et al. (2020) Multiple Linear Regression and Thermodynamic Fluctuations are Equivalent for Computing Thermodynamic Derivatives from Molecular Simulation Fluid Phase Equilibria. 523: 112785 |