David Dubbeldam

发表

Solubilities of CO2, CH4, C2H6, and SO2 in ionic liquids and Selexol from Monte Carlo simulations

Thijs J. H. Vlugt, Mahinder Ramdin, Qu Chen, 2016, J. Comput. Sci..

Recent advances in the continuous fractional component Monte Carlo methodology

Thijs J. H. Vlugt, Remco Hens, Ahmadreza Rahbari, 2020, Molecular Simulation.

On the inner workings of Monte Carlo codes

Ariana Torres-Knoop, David Dubbeldam, Krista S. Walton, 2013 .

A Comparison of Advanced Monte Carlo Methods for Open Systems: CFCMC vs CBMC.

Sayee Prasaad Balaji, Ariana Torres-Knoop, David Dubbeldam, 2014, Journal of chemical theory and computation.

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

Thijs J. H. Vlugt, Remco Hens, Ahmadreza Rahbari, 2021, J. Chem. Inf. Model..

Computation of the Heat and Entropy of Adsorption in Proximity of Inflection Points

Thijs J. H. Vlugt, Ali Poursaeidesfahani, Ariana Torres-Knoop, 2016 .

On the Application of Classical Molecular Simulations of Adsorption in Metal–Organic Frameworks

David Dubbeldam, Krista S. Walton, 2015 .

Method for Analyzing Structural Changes of Flexible Metal-Organic Frameworks Induced by Adsorbates

Rajamani Krishna, Randall Q. Snurr, David Dubbeldam, 2009 .

Computer Simulation of Incommensurate Diffusion in Zeolites: Understanding Window Effects

Berend Smit, David Dubbeldam, B. Smit, 2003 .

Transferable force field for carbon dioxide adsorption in zeolites

Rajamani Krishna, Thijs J. H. Vlugt, Sofia Calero, 2009 .

Delft University of Technology Multiple linear regression and thermodynamic fluctuations are equivalent for computing thermodynamic derivatives from molecular simulation

J. Ilja Siepmann, Ahmadreza Rahbari, Othonas A. Moultos, 2020 .

Feasibility of zeolitic imidazolate framework membranes for clean energy applications

Matthew R. Hill, Anita J. Hill, Bradley P. Ladewig, 2012 .

Understanding inflections and steps in carbon dioxide adsorption isotherms in metal-organic frameworks.

David Dubbeldam, Krista S. Walton, Omar M Yaghi, 2008, Journal of the American Chemical Society.

Computer-assisted screening of ordered crystalline nanoporous adsorbents for separation of alkane isomers.

Rajamani Krishna, David Dubbeldam, Sofía Calero, 2012, Angewandte Chemie.

On the Application of Classical Molecular Simulations of Adsorption in Metal–Organic Frameworks

David Dubbeldam, Krista S. Walton, D. Dubbeldam, 2015 .

United Atom Force Field for Alkanes in Nanoporous Materials

Rajamani Krishna, Thijs J. H. Vlugt, Berend Smit, 2004 .

Dynamic structure factor in single- and two-species thermal GBL lattice gas

Peter M. A. Sloot, Alfons G. Hoekstra, David Dubbeldam, 2000 .

A new perspective on the order-n algorithm for computing correlation functions

Randall Q. Snurr, David Dubbeldam, Denise C. Ford, 2009 .

Heats of adsorption for seven gases in three metal-organic frameworks: systematic comparison of experiment and simulation.

Yves Schuurman, Randall Q. Snurr, Claude Mirodatos, 2009, Langmuir : the ACS journal of surfaces and colloids.