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8 results in Authors: Alex H. de Vries

Theoretical and Computational Chemistry

Working Paper

Modelling structural properties of cyanine dye nanotubes at coarse-grained level

Ilias Patmanidis, Paulo C. T. Souza, Selim Sami, Remco W. A. Havenith, Alex H. de Vries, Siewert J. Marrink

Version 1 posted 09 March 2022

248

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Theoretical and Computational Chemistry

Working Paper

Pitfalls of the Martini Model

Riccardo Alessandri, Paulo C. T. Souza, Sebastian Thallmair, Manuel N. Melo, Alex H. de Vries, Siewert-Jan Marrink

Version 1 posted 16 May 2019

783

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Analytical Chemistry

Working Paper

Martini Coarse-Grained Models of Imidazolium-Based Ionic Liquids: From Nanostructural Organization to Liquid-Liquid Extraction

Luis Itza Vazquez-Salazar, Michele Selle, Alex H. de Vries, Siewert-Jan Marrink, Paulo C. T. Souza

Version 1 posted 28 May 2020

610

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Citations

Physical Chemistry

Working Paper

Comparing dimerization free energies and binding modes of small aromatic molecules with different force fields

Ilias Patmanidis, Riccardo Alessandri, Alex H. de Vries, Siewert J. Marrink

Version 2 posted 09 August 2021

274

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Physical Chemistry

Working Paper

Multiscale Modeling of Molecular Structure and Optical Properties of Complex Supramolecular Aggregates

Anna S. Bondarenko, Ilias Patmanidis, Riccardo Alessandri, Paulo C. T. Souza, Thomas L.C. Jansen, Alex H. de Vries, Siewert-Jan Marrink, Jasper Knoester

Version 1 posted 01 June 2020

482

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Citations

Materials Science

Working Paper

Resolving Donor-Acceptor Interfaces and Charge Carrier Energy Levels of Organic Semiconductors with Polar Side Chains

Riccardo Alessandri, Selim Sami, Jonathan Barnoud, Alex H. de Vries, Siewert-Jan Marrink, Remco W.A. Havenith

Version 1 posted 26 May 2020

557

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Theoretical and Computational Chemistry

Working Paper

Structural Characterization of Supramolecular Hollow Nanotubes with Atomistic Simulations and SAXS

Ilias Patmanidis, Alex H. de Vries, Tsjerk A. Wassenaar, Wenjun Wang, Giuseppe Portale, Siewert-Jan Marrink

Version 1 posted 27 August 2020

284

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Physical Chemistry

Working Paper

Martini 3 Coarse-Grained Force Field: Small Molecules

Riccardo Alessandri, Jonathan Barnoud, Anders S. Gertsen, Ilias Patmanidis, Alex H. de Vries, Paulo C. T. Souza, Siewert J. Marrink

Version 1 posted 19 July 2021

4,015

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8 results in Alex H. de Vries in Authors: Alex H. de Vries

Modelling structural properties of cyanine dye nanotubes at coarse-grained level

Pitfalls of the Martini Model

Martini Coarse-Grained Models of Imidazolium-Based Ionic Liquids: From Nanostructural Organization to Liquid-Liquid Extraction

Comparing dimerization free energies and binding modes of small aromatic molecules with different force fields

Multiscale Modeling of Molecular Structure and Optical Properties of Complex Supramolecular Aggregates

Resolving Donor-Acceptor Interfaces and Charge Carrier Energy Levels of Organic Semiconductors with Polar Side Chains

Structural Characterization of Supramolecular Hollow Nanotubes with Atomistic Simulations and SAXS

Martini 3 Coarse-Grained Force Field: Small Molecules

8 results in Authors: Alex H. de Vries