Publications of Nico F. A. van der Vegt

Chen, L. Q.; Li, C. L.; van der Vegt, N. F. A.; Auernhammer, G. K.; Bonaccurso, E.: Initial Electrospreading of Aqueous Electrolyte Drops. Physical Review Letters 110 (2), 026103 (2013)

Shen, J.-W.; Li, C. L.; van der Vegt, N. F. A.; Peter, C.: Understanding the Control of Mineralization by Polyelectrolyte Additives: Simulation of Preferential Binding to Calcite Surfaces. Journal of Physical Chemistry C 117 (13), pp. 6904 - 6913 (2013)

Ganguly, P.; Mukherji, D.; Junghans, C.; van der Vegt, N. F. A.: Kirkwood-Buff Coarse-Grained Force Fields for Aqueous Solutions. Journal of Chemical Theory and Computation 8 (5), pp. 1802 - 1807 (2012)

Johnston, K.; Herbers, C. R.; van der Vegt, N. F. A.: Development of Classical Molecule-Surface Interaction Potentials Based on Density Functional Theory Calculations: Investigation of Force Field Representability. Journal of Physical Chemistry C 116 (37), pp. 19781 - 19788 (2012)

Li, C. L.; Shen, J. W.; Peter, C.; van der Vegt, N. F. A.: A Chemically Accurate Implicit-Solvent Coarse-Grained Model for Polystyrenesulfonate Solutions. Macromolecules 45 (5), pp. 2551 - 2561 (2012)

Marcon, V.; Fritz, D.; van der Vegt, N. F. A.: Hierarchical modelling of polystyrene surfaces. Soft Matter 8 (20), pp. 5585 - 5594 (2012)

Mukherji, D.; van der Vegt, N. F. A.; Kremer, K.: Preferential Solvation of Triglycine in Aqueous Urea: An Open Boundary Simulation Approach. Journal of Chemical Theory and Computation 8 (10), pp. 3536 - 3541 (2012)

Mukherji, D.; van der Vegt, N. F. A.; Kremer, K.; Delle Site, L.: Kirkwood-Buff Analysis of Liquid Mixtures in an Open Boundary Simulation. Journal of Chemical Theory and Computation 8 (2), pp. 375 - 379 (2012)

Fritz, D.; Koschke, K.; Harmandaris, V. A.; van der Vegt, N. F. A.; Kremer, K.: Multiscale modeling of soft matter: scaling of dynamics. Physical Chemistry Chemical Physics 13 (22), pp. 10412 - 10420 (2011)

Herbers, C. R.; Johnston, K.; van der Vegt, N. F. A.: Modelling molecule-surface interactions-an automated quantum-classical approach using a genetic algorithm. Physical Chemistry Chemical Physics 13 (22), pp. 10577 - 10583 (2011)

Shen, J. W.; Li, C. L.; van der Vegt, N. F. A.; Peter, C.: Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions. Journal of Chemical Theory and Computation 7 (6), pp. 1916 - 1927 (2011)

Neyertz, S.; Brown, D.; Pandiyan, S.; van der Vegt, N. F. A.: Carbon Dioxide Diffusion and Plasticization in Fluorinated Polyimides. Macromolecules 43 (18), pp. 7813 - 7827 (2010)

Pandiyan, S.; Brown, D.; Neyertz, S.; van der Vegt, N. F. A.: Carbon Dioxide Solubility in Three Fluorinated Polyimides Studied by Molecular Dynamics Simulations. Macromolecules 43 (5), pp. 2605 - 2621 (2010)

Villa, A.; Peter, C.; van der Vegt, N. F. A.: Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water. Journal of Chemical Theory and Computation 6 (8), pp. 2434 - 2444 (2010)

Fritz, D.; Harmandaris, V. A.; Kremer, K.; van der Vegt, N. F. A.: Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities. Macromolecules 42 (19), pp. 7579 - 7588 (2009)

Fritz, D.; Herbers, C. R.; Kremer, K.; van der Vegt, N. F. A.: Hierarchical modeling of polymer permeation. Soft Matter 5 (22), pp. 4556 - 4563 (2009)

Hess, B.; Harings, J. A. W.; Rastogi, S.; van der Vegt, N. F. A.: Interaction of Water with N,N '-1,2-Ethanediyl-bis(6-hydroxy-hexanamide) Crystals: A Simulation Study. Journal of Physical Chemistry B 113 (3), pp. 627 - 631 (2009)

Hess, B.; van der Vegt, N. F. A.: Cation specific binding with protein surface charges. Proceedings of the National Academy of Sciences of the United States of America 106 (32), pp. 13296 - 13300 (2009)

Mulder, T.; Harmandaris, V. A.; Lyuin, A. V.; van der Vegt, N. F. A.; Kremer, K.; Michels, M. A. J.: Structural Properties of Atactic Polystyrene of Different Thermal History Obtained from a Multiscale Simulation. Macromolecules 42 (1), pp. 384 - 391 (2009)

Pandiyan, S.; Brown, D.; van der Vegt, N. F. A.; Neyertz, S.: Atomistic Models of Three Fluorinated Polyimides in the Amorphous State. Journal of Polymer Science Part B-Polymer Physics 47 (12), pp. 1166 - 1180 (2009)