| RASPA: molecular simulation software for adsorption and diffusion in flexible nanoporous materials D Dubbeldam, S Calero, DE Ellis, RQ Snurr Molecular Simulation 42 (2), 81-101, 2016 | 1571 | 2016 |
| Understanding inflections and steps in carbon dioxide adsorption isotherms in metal-organic frameworks KS Walton, AR Millward, D Dubbeldam, H Frost, JJ Low, OM Yaghi, ... Journal of the American Chemical Society 130 (2), 406-407, 2008 | 595 | 2008 |
| On the inner workings of Monte Carlo codes D Dubbeldam, A Torres-Knoop, KS Walton Molecular Simulation 39 (14-15), 1253-1292, 2013 | 433 | 2013 |
| Exceptional negative thermal expansion in isoreticular metal-organic frameworks D Dubbeldam, KS Walton, DE Ellis, RQ Snurr Angewandte Chemie-International Edition 46 (24), 4496-4499, 2007 | 403 | 2007 |
| United atom force field for alkanes in nanoporous materials D Dubbeldam, S Calero, TJH Vlugt, R Krishna, TLM Maesen, B Smit The Journal of Physical Chemistry B 108 (33), 12301-12313, 2004 | 401 | 2004 |
| Understanding the role of sodium during adsorption: a force field for alkanes in sodium-exchanged faujasites S Calero, D Dubbeldam, R Krishna, B Smit, TJH Vlugt, JFM Denayer, ... Journal of the American Chemical Society 126 (36), 11377-11386, 2004 | 299 | 2004 |
| Heats of adsorption for seven gases in three metal− organic frameworks: systematic comparison of experiment and simulation D Farrusseng, C Daniel, C Gaudillere, U Ravon, Y Schuurman, ... Langmuir 25 (13), 7383-7388, 2009 | 255 | 2009 |
| Transferable force field for carbon dioxide adsorption in zeolites A Garcia-Sanchez, CO Ania, JB Parra, D Dubbeldam, TJH Vlugt, ... The Journal of Physical Chemistry C 113 (20), 8814-8820, 2009 | 254 | 2009 |
| Computing the heat of adsorption using molecular simulations: the effect of strong Coulombic interactions TJH Vlugt, E García-Pérez, D Dubbeldam, S Ban, S Calero Journal of chemical theory and computation 4 (7), 1107-1118, 2008 | 242 | 2008 |
| Recent developments in the molecular modeling of diffusion in nanoporous materials D Dubbeldam, RQ Snurr Molecular Simulation 33 (4-5), 305-325, 2007 | 219 | 2007 |
| Force field parametrization through fitting on inflection points in isotherms D Dubbeldam, S Calero, TJH Vlugt, R Krishna, TLM Maesen, E Beerdsen, ... Physical review letters 93 (8), 088302, 2004 | 210 | 2004 |
| Mechanical properties in metal–organic frameworks: emerging opportunities and challenges for device functionality and technological applications NC Burtch, J Heinen, TD Bennett, D Dubbeldam, MD Allendorf Advanced materials 30 (37), 1704124, 2018 | 209 | 2018 |
| A computational study of CO2, N2, and CH4 adsorption in zeolites E García-Pérez, JB Parra, CO Ania, A García-Sánchez, JM Van Baten, ... Adsorption 13, 469-476, 2007 | 202 | 2007 |
| Molecular simulation of loading-dependent diffusion in nanoporous materials using extended dynamically corrected transition state theory D Dubbeldam, E Beerdsen, TJH Vlugt, B Smit The Journal of chemical physics 122 (22), 2005 | 189 | 2005 |
| Feasibility of zeolitic imidazolate framework membranes for clean energy applications AW Thornton, D Dubbeldam, MS Liu, BP Ladewig, AJ Hill, MR Hill Energy & Environmental Science 5 (6), 7637-7646, 2012 | 176 | 2012 |
| Molecular simulation of adsorption sites of light gases in the metal-organic framework IRMOF-1 D Dubbeldam, H Frost, KS Walton, RQ Snurr Fluid Phase Equilibria 261 (1-2), 152-161, 2007 | 154 | 2007 |
| The distributed ASCI supercomputer project H Bal, R Bhoedjang, R Hofman, C Jacobs, T Kielmann, J Maassen, ... ACM SIGOPS Operating Systems Review 34 (4), 76-96, 2000 | 146 | 2000 |
| Separation and molecular-level segregation of complex alkane mixtures in metal− organic frameworks D Dubbeldam, CJ Galvin, KS Walton, DE Ellis, RQ Snurr Journal of the American Chemical Society 130 (33), 10884-10885, 2008 | 140 | 2008 |
| Understanding diffusion in nanoporous materials E Beerdsen, D Dubbeldam, B Smit Physical review letters 96 (4), 044501, 2006 | 138 | 2006 |
| iRASPA: GPU-accelerated visualization software for materials scientists D Dubbeldam, S Calero, TJH Vlugt Molecular Simulation 44 (8), 653-676, 2018 | 137 | 2018 |
Thijs VlugtProfessor and Chair Engineering Thermodynamics在 tudelft.nl 的电子邮件经过验证
Thijs VlugtProfessor and Chair Engineering Thermodynamics在 tudelft.nl 的电子邮件经过验证