David Dubbeldam

David Dubbeldam publication distribution in Chemistry in 2026

The chart shows the distribution of publications by all Research.com ranked scientists in the field of Chemistry in 2026. The highlighted bar marks where David Dubbeldam sits on this spectrum.

David Dubbeldam D-index placement in Chemistry in 2026

The chart shows the D-index (discipline H-index) distribution of Chemistry scientists ranked by Research.com in 2026. The highlighted bar marks where David Dubbeldam sits on this spectrum.

Best Publications

• RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials

  David Dubbeldam;Sofía Calero;Donald E. Ellis;Randall Q. Snurr

  1960
  Citations

• Understanding Inflections and Steps in Carbon Dioxide Adsorption Isotherms in Metal-Organic Frameworks

  Krista S. Walton;Andrew R. Millward;David Dubbeldam;Houston Frost

  615
  Citations

• On the inner workings of Monte Carlo codes

  David Dubbeldam;Ariana Torres-Knoop;Krista S. Walton

  469
  Citations

• United Atom Force Field for Alkanes in Nanoporous Materials

  D. Dubbeldam;Sofia Calero;T. J.H. Vlugt;R. Krishna

  417
  Citations

• Exceptional Negative Thermal Expansion in Isoreticular Metal–Organic Frameworks

  David Dubbeldam;Krista S. Walton;Donald E. Ellis;Randall Q. Snurr

  404
  Citations

• Understanding the role of sodium during adsorption: a force field for alkanes in sodium-exchanged faujasites.

  Sofía Calero;David Dubbeldam;Rajamani Krishna;Berend Smit

  316
  Citations

• Transferable Force Field for Carbon Dioxide Adsorption in Zeolites

  Almudena García-Sánchez;Conchi O. Ania;José B. Parra;David Dubbeldam

  267
  Citations

• Computing the Heat of Adsorption using Molecular Simulations: The Effect of Strong Coulombic Interactions

  T. J. H. Vlugt;E. García-Pérez;D. Dubbeldam;S. Ban

  262
  Citations

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

  David Farrusseng;Cécile Daniel;Cyril Gaudillère;Ugon Ravon

  259
  Citations

• Mechanical Properties in Metal–Organic Frameworks: Emerging Opportunities and Challenges for Device Functionality and Technological Applications

  Nicholas C. Burtch;Jurn Heinen;Thomas D. Bennett;David Dubbeldam

  253
  Citations

• Recent developments in the molecular modeling of diffusion in nanoporous materials

  D. Dubbeldam;R. Q. Snurr

  233
  Citations

• Force field parametrization through fitting on inflection points in isotherms.

  D. Dubbeldam;Sofia Calero;T. J.H. Vlugt;R. Krishna

  218
  Citations

• Molecular simulation of loading-dependent diffusion in nanoporous materials using extended dynamically corrected transition state theory

  D. Dubbeldam;E. Beerdsen;T. J. H. Vlugt;B. Smit

  203
  Citations

• A computational study of CO2, N2, and CH4 adsorption in zeolites

  E. García-Pérez;J. B. Parra;C. O. Ania;A. García-Sánchez

  200
  Citations

• iRASPA: GPU-accelerated visualization software for materials scientists

  David Dubbeldam;Sofía Calero;Thijs J.H. Vlugt

  190
  Citations

• Feasibility of zeolitic imidazolate framework membranes for clean energy applications

  Aaron W Thornton;David Dubbeldam;Ming Liu;Bradley Paul Ladewig

  179
  Citations

• Molecular simulation of adsorption sites of light gases in the metal-organic framework IRMOF-1

  David Dubbeldam;Houston Frost;Krista S. Walton;Randall Q. Snurr

  161
  Citations

• Molecular Simulation of Loading Dependent Slow Diffusion in Confined Systems

  E. Beerdsen;B. Smit;D. Dubbeldam

  147
  Citations

• Understanding Diffusion in Nanoporous Materials

  E. Beerdsen;E. Beerdsen;D. Dubbeldam;D. Dubbeldam;B. Smit;B. Smit

  145
  Citations

• Separation and Molecular-Level Segregation of Complex Alkane Mixtures in Metal−Organic Frameworks

  David Dubbeldam;Casey J. Galvin;Krista S. Walton;Donald E. Ellis

  144
  Citations