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Journal Article (57)
1.
Journal Article
110 (2), 026103 (2013)
Initial Electrospreading of Aqueous Electrolyte Drops. Physical Review Letters 2.
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 3.
Journal Article
8 (5), pp. 1802 - 1807 (2012)
Kirkwood-Buff Coarse-Grained Force Fields for Aqueous Solutions. Journal of Chemical Theory and Computation 4.
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 5.
Journal Article
45 (5), pp. 2551 - 2561 (2012)
A Chemically Accurate Implicit-Solvent Coarse-Grained Model for Polystyrenesulfonate Solutions. Macromolecules 6.
Journal Article
8 (20), pp. 5585 - 5594 (2012)
Hierarchical modelling of polystyrene surfaces. Soft Matter 7.
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 8.
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 9.
Journal Article
13 (22), pp. 10412 - 10420 (2011)
Multiscale modeling of soft matter: scaling of dynamics. Physical Chemistry Chemical Physics 10.
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 11.
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 12.
Journal Article
43 (18), pp. 7813 - 7827 (2010)
Carbon Dioxide Diffusion and Plasticization in Fluorinated Polyimides. Macromolecules 13.
Journal Article
43 (5), pp. 2605 - 2621 (2010)
Carbon Dioxide Solubility in Three Fluorinated Polyimides Studied by Molecular Dynamics Simulations. Macromolecules 14.
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 15.
Journal Article
42 (19), pp. 7579 - 7588 (2009)
Coarse-Grained Polymer Melts Based on Isolated Atomistic Chains: Simulation of Polystyrene of Different Tacticities. Macromolecules 16.
Journal Article
5 (22), pp. 4556 - 4563 (2009)
Hierarchical modeling of polymer permeation. Soft Matter 17.
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 18.
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 19.
Journal Article
42 (1), pp. 384 - 391 (2009)
Structural Properties of Atactic Polystyrene of Different Thermal History Obtained from a Multiscale Simulation. Macromolecules 20.
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