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List of works by Nico van der Vegt

1-Butanol absorption in poly(styrene-divinylbenzene) ion exchange resins for catalysis.

scientific article published on 28 September 2015

Bottom-up approach to represent dynamic properties in coarse-grained molecular simulations

scientific article published on 01 December 2018

Bottom-up derivation of conservative and dissipative interactions for coarse-grained molecular liquids with the conditional reversible work method

scientific article published on 01 December 2014

Characterizing Polymer Hydration Shell Compressibilities with the Small-System Method

scientific article published on 25 July 2020

Chemically transferable coarse-grained potentials from conditional reversible work calculations

scientific article published on 01 October 2012

Comment on "Relating side chain organization of PNIPAm with its conformation in aqueous methanol" by D. Mukherji, M. Wagner, M. D. Watson, S. Winzen, T. E. de Oliveira, C. M. Marques and K. Kremer, Soft Matter, 2016, 12, 7995.

scientific article published on 6 March 2017

Comparison of Different TMAO Force Fields and Their Impact on the Folding Equilibrium of a Hydrophobic Polymer.

scientific article published on 2 August 2016

Competing adsorption between hydrated peptides and water onto metal surfaces: from electronic to conformational properties.

scientific article published on 13 September 2008

Computational Calorimetry of PNIPAM Cononsolvency in Water/Methanol Mixtures.

scientific article published on 21 July 2017

Conditional Reversible Work Coarse-Grained Models of Molecular Liquids with Coulomb Electrostatics - A Proof of Concept Study on Weakly Polar Organic Molecules.

scientific article published on 21 November 2017

Conditional Reversible Work Coarse-Grained Models with Explicit Electrostatics-An Application to Butylmethylimidazolium Ionic Liquids

scientific article published on 30 January 2019

Conditional reversible work method for molecular coarse graining applications

scientific article published on 03 May 2011

Confusing cause and effect: energy-entropy compensation in the preferential solvation of a nonpolar solute in dimethyl sulfoxide/water mixtures.

scientific article published in June 2006

Contact Ion Pairs in the Bulk Affect Anion Interactions with Poly(<i>N</i>-isopropylacrylamide)

scientific article published on 07 January 2021

Convergence of Kirkwood-Buff Integrals of Ideal and Nonideal Aqueous Solutions Using Molecular Dynamics Simulations

scientific article

Convergence of Sampling Kirkwood-Buff Integrals of Aqueous Solutions with Molecular Dynamics Simulations.

scientific article published on 28 February 2013

Correction to "Computational Calorimetry of PNIPAM Cononsolvency in Water/Methanol Mixtures"

scientific article published on 17 January 2019

Correction to "Mutual Exclusion of Urea and Trimethylamine N-Oxide from Amino Acids in Mixed Solvent Environment".

scientific article published on 16 November 2015

Correction to Comparison of Different TMAO Force Fields and Their Impact on the Folding Equilibrium of a Hydrophobic Polymer.

scientific article published on 7 February 2017

Cosolvent Effects on Polymer Hydration Drive Hydrophobic Collapse.

scientific article published on 14 February 2018

Direct Osmolyte–Macromolecule Interactions Confer Entropic Stability to Folded States

scientific article published on 24 June 2014

Does an electronic continuum correction improve effective short-range ion-ion interactions in aqueous solution?

scientific article published on 01 June 2018

Does urea denature hydrophobic interactions?

scientific article published on 01 April 2006

Energy-entropy compensation in the transfer of nonpolar solutes from water to cosolvent/water mixtures

scientific article published on 01 January 2004

Enthalpy-Entropy of Cation Association with the Acetate Anion in Water

scientific article published on 07 May 2012

Enthalpy-entropy compensation in the effects of urea on hydrophobic interactions

scientific article published on 01 July 2006

Evaluation of mapping schemes for systematic coarse graining of higher alkanes

scientific article published on 17 August 2017

From Hydrophobic to Hydrophilic Solvation:  An Application to Hydration of Benzene

scientific article published on 01 July 2005

Grand challenges in quantum‐classical modeling of molecule–surface interactions ⬇️

scientific article published on February 19, 2013

Hofmeister Ion Interactions with Model Amide Compounds

article

How does low-molecular-weight polystyrene dissolve: osmotic swelling vs. surface dissolution.

scientific article published in December 2014

How good are coarse-grained polymer models? A comparison for atactic polystyrene.

scientific article published on 19 June 2012

Hydration thermodynamic properties of amino acid analogues: a systematic comparison of biomolecular force fields and water models

scientific article published on 01 September 2006

Hydrophobic Association in Mixed Urea-TMAO Solutions.

scientific article published on 21 July 2016

Improved Temperature Behavior of PNIPAM in Water with a Modified OPLS Model

scientific article published on 24 April 2019

Initial Electrospreading of Aqueous Electrolyte Drops

scientific article published in Physical Review Letters

Interfacial entropy of water on rigid hydrophobic surfaces

scientific article published on 26 July 2013

Interfacial tension does not drive asymmetric nanoscale electrowetting on graphene

scientific article published on 16 April 2015

Intrinsic Conformational Preferences and Interactions in α-Synuclein Fibrils: Insights from Molecular Dynamics Simulations

scientific article published on 10 May 2018

Ion pairing in aqueous electrolyte solutions with biologically relevant anions

scientific article published on 16 March 2011

Ionic specific effects on the structure, mechanics and interfacial softness of a polyelectrolyte brush.

scientific article

Kirkwood-Buff Analysis of Liquid Mixtures in an Open Boundary Simulation.

scientific article published on 3 February 2012

Kirkwood–Buff Coarse-Grained Force Fields for Aqueous Solutions

article

Mechanism for Asymmetric Nanoscale Electrowetting of an Ionic Liquid on Graphene

scientific article published on 22 December 2015

Mechanism of Polymer Collapse in Miscible Good Solvents

article

Modeling multibody effects in ionic solutions with a concentration dependent dielectric permittivity

scientific article published on 12 April 2006

Modeling of molecular packing and conformation in oligofluorenes

scientific article published on 01 March 2006

Molecular Mechanism for the Interactions of Hofmeister Cations with Macromolecules in Aqueous Solution

scientific article published on 30 October 2020

Molecular Scale Solvation in Complex Solutions

scientific article published on 05 August 2019

Molecular Thermodynamics of Methane Solvation in tert-Butanol-Water Mixtures

scientific article published on 01 January 2007

Molecular origin of urea driven hydrophobic polymer collapse and unfolding depending on side chain chemistry.

scientific article published on 10 July 2017

Multiscale modeling of soft matter: scaling of dynamics

scientific article published on 05 April 2011

Mutual Exclusion of Urea and Trimethylamine N-Oxide from Amino Acids in Mixed Solvent Environment

scientific article published on 28 January 2015

Nanoparticles at Biomimetic Interfaces: Combined Experimental and Simulation Study on Charged Gold Nanoparticles/Lipid Bilayer Interfaces

scientific article published on 24 December 2018

Nonadditive Ion Effects Drive Both Collapse and Swelling of Thermoresponsive Polymers in Water

scientific article published on 12 April 2019

On the urea induced hydrophobic collapse of a water soluble polymer.

scientific article

Osmotic coefficients of atomistic NaCl (aq) force fields

scientific article published on 01 April 2006

Peptide backbone effect on hydration free energies of amino acid side chains

scientific article published on 05 November 2014

Phase Equilibria Modeling with Systematically Coarse-Grained Models-A Comparative Study on State Point Transferability

scientific article published on 08 January 2019

Preferential Solvation of Triglycine in Aqueous Urea: An Open Boundary Simulation Approach

scientific article published on 23 July 2012

Publisher's Note: "Solvation thermodynamics of amino acid side chains on a short peptide backbone" [J. Chem. Phys. 142, 144502 (2015)]

scientific article published on 01 April 2015

Representability and Transferability of Kirkwood-Buff Iterative Boltzmann Inversion Models for Multicomponent Aqueous Systems

scientific article published on 19 November 2013

Self-assembling dipeptides: conformational sampling in solvent-free coarse-grained simulation.

scientific article published on 2 February 2009

Solid-liquid work of adhesion of coarse-grained models of n-hexane on graphene layers derived from the conditional reversible work method

scientific article published on 01 December 2015

Solvation thermodynamics of amino acid side chains on a short peptide backbone.

scientific article

Solvent-averaged potentials for alkali-, earth alkali-, and alkylammonium halide aqueous solutions

scientific article published on 01 December 2007

The Hydrophobic Effect and the Role of Cosolvents.

scientific article published on 18 September 2017

Thermodynamic transferability of coarse-grained potentials for polymer-additive systems

scientific article published on 22 June 2012

Transferability of Coarse Grained Potentials: Implicit Solvent Models for Hydrated Ions.

scientific article published on 5 May 2011

Transferability of Local Density-Assisted Implicit Solvation Models for Homogeneous Fluid Mixtures

scientific article published on 29 April 2019

Transferability of Nonbonded Interaction Potentials for Coarse-Grained Simulations: Benzene in Water

scientific article published on 21 July 2010

Understanding the influence of capillary waves on solvation at the liquid-vapor interface

scientific article published on 01 March 2016

Using Grand Canonical Monte Carlo Simulations to Understand the Role of Interfacial Fluctuations on Solvation at the Water-Vapor Interface.

scientific article

Vortex formation in coalescence of droplets with a reservoir using molecular dynamics simulations

scientific article published on 28 June 2016

Water-Mediated Ion Pairing: Occurrence and Relevance

scientific article published on 6 May 2016

What is the contact angle of water on graphene?

scientific article published on 24 January 2013

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