Tambach, T. J., Hensen, E. J. M., & Smit, B. (2004). Molecular Simulations of Swelling Clay Minerals. The journal of Physical Chemistry. B, 108(23), 7586-7596. https://doi.org/10.1021/jp049799h

Dubbeldam, D., Calero, S., Vlugt, T. J. H., Krishna, R., Maesen, T. L. M., & Smit, B. (2004). United Atom Force Field for Alkanes in Nanoporous Materials. The journal of Physical Chemistry. B, 108(33), 12301-12313. https://doi.org/10.1021/jp0376727

Dubbeldam, D., Calero, S., Vlugt, T. J. H., Krishna, R., Maesen, T. L. M., Beerdsen, E., & Smit, B. (2004). Force field parametrization through fitting on inflection points in isotherms. Physical Review Letters, 93(8), Article 088302.

Kranenburg, M., Laforge, C., & Smit, B. (2004). Mesoscopic simulations of phase transitions in lipid bilayers. Physical Chemistry Chemical Physics, 6(19), 4531-4534. https://doi.org/10.1039/b410914g

d'Aleo, A., Williams, R. M., Osswald, F., Edamana, P., Hahn, U., van Heyst, J., Tichelaar, F. D., Voegtle, F., & De Cola, L. (2004). Oligothia dendrimers for the formation of gold nanoparticles. Advanced Functional Materials, 14(12), 1167-1177. https://doi.org/10.1002/adfm.200400101

Calero, S., Lago, S., van Gunsteren, W. F., & Daura, X. (2004). Modelling of the Complex between a 15-Residue Peptide from mSos2 and the N-Terminal SH3 Domain of Grb2 by Molecular-Dynamics Simulation. Chemistry & Biodiversity, 1(3), 505-519. https://doi.org/10.1002/cbdv.200490044

Frenkel, D. (2004). Introduction to Monte Carlo Methods. In N. et al Attig (Ed.), Computational Soft Matter, From synthetic polymers to proteins (pp. 29-59). (NIC Series; No. 23).

Vandu, C. O., & Krishna, R. (2004). Volumetric mass transfer coefficients in slurry bubble columns operating in the churn-turbulent flow regime. Chemical Engineering and Processing, 43, 987-995. https://doi.org/10.1016/j.cep.2003.09.007

van Baten, J. M., & Krishna, R. (2004). Eulerian simulation strategy for scaling up a bubble column slurry reactor for Fischer-Tropsch synthesis. Industrial & Engineering Chemistry Research, 43, 4483-4493. https://doi.org/10.1021/ie0340286

Higler, A., Chande, R., Taylor, R., Baur, R., & Krishna, R. (2004). Nonequilibrium Modelling of Three-Phase distillation. Computers & chemical engineering, 28, 2021-2036. https://doi.org/10.1016/j.compchemeng.2004.04.008