Publications of Nico F. A. van der Vegt
All genres
Journal Article (57)
Journal Article
110 (2), 026103 (2013)
Initial Electrospreading of Aqueous Electrolyte Drops. Physical Review Letters
Journal Article
117 (13), pp. 6904 - 6913 (2013)
Understanding the Control of Mineralization by Polyelectrolyte Additives: Simulation of Preferential Binding to Calcite Surfaces. Journal of Physical Chemistry C
Journal Article
8 (5), pp. 1802 - 1807 (2012)
Kirkwood-Buff Coarse-Grained Force Fields for Aqueous Solutions. Journal of Chemical Theory and Computation
Journal Article
116 (37), pp. 19781 - 19788 (2012)
Development of Classical Molecule-Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability. Journal of Physical Chemistry C
Journal Article
45 (5), pp. 2551 - 2561 (2012)
A Chemically Accurate Implicit-Solvent Coarse-Grained Model for Polystyrenesulfonate Solutions. Macromolecules
Journal Article
8 (20), pp. 5585 - 5594 (2012)
Hierarchical modelling of polystyrene surfaces. Soft Matter
Journal Article
8 (10), pp. 3536 - 3541 (2012)
Preferential Solvation of Triglycine in Aqueous Urea: An Open Boundary Simulation Approach. Journal of Chemical Theory and Computation
Journal Article
8 (2), pp. 375 - 379 (2012)
Kirkwood-Buff Analysis of Liquid Mixtures in an Open Boundary Simulation. Journal of Chemical Theory and Computation
Journal Article
13 (22), pp. 10412 - 10420 (2011)
Multiscale modeling of soft matter: scaling of dynamics. Physical Chemistry Chemical Physics
Journal Article
13 (22), pp. 10577 - 10583 (2011)
Modelling molecule-surface interactions-an automated quantum-classical approach using a genetic algorithm. Physical Chemistry Chemical Physics
Journal Article
7 (6), pp. 1916 - 1927 (2011)
Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions. Journal of Chemical Theory and Computation
Journal Article
43 (18), pp. 7813 - 7827 (2010)
Carbon Dioxide Diffusion and Plasticization in Fluorinated Polyimides. Macromolecules
Journal Article
43 (5), pp. 2605 - 2621 (2010)
Carbon Dioxide Solubility in Three Fluorinated Polyimides Studied by Molecular Dynamics Simulations. Macromolecules
Journal Article
6 (8), pp. 2434 - 2444 (2010)
Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water. Journal of Chemical Theory and Computation
Journal Article
42 (19), pp. 7579 - 7588 (2009)
Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities. Macromolecules
Journal Article
5 (22), pp. 4556 - 4563 (2009)
Hierarchical modeling of polymer permeation. Soft Matter
Journal Article
113 (3), pp. 627 - 631 (2009)
Interaction of Water with N,N '-1,2-Ethanediyl-bis(6-hydroxy-hexanamide) Crystals: A Simulation Study. Journal of Physical Chemistry B
Journal Article
106 (32), pp. 13296 - 13300 (2009)
Cation specific binding with protein surface charges. Proceedings of the National Academy of Sciences of the United States of America
Journal Article
42 (1), pp. 384 - 391 (2009)
Structural Properties of Atactic Polystyrene of Different Thermal History Obtained from a Multiscale Simulation. Macromolecules
Journal Article
47 (12), pp. 1166 - 1180 (2009)
Atomistic Models of Three Fluorinated Polyimides in the Amorphous State. Journal of Polymer Science Part B-Polymer Physics