• Data of the publication: Determination of Aqueous Solubility of NaCl in Molecular Dynamics Simulation using the Kirkwood-Buff Method 

  Abhishek Chattopadhyay; Mandalaparthy, Varun; van der Vegt, Nico (2025-01)

• Ionization potentials of metal clusters studied with a broad range, tunable vacuum ultraviolet light source. 

  Macion, Alexander; Schäfer, Rolf (2023-08)

• A Generic Model for pH-Sensitive Collapse of Hydrophobic Polymers 

  Mandalaparthy, Varun; van der Vegt, Nico (2024-12)

• Cross-Correlations in the Fluctuation Dissipation Relation Influence Barrier Crossing Dynamics 

  Wolf, Niklas; Viktor, Klippenstein; Nico F. A., van der Vegt (2024-10-29)

• Data of the publication: A Gauss-Newton method for iterative optimization of memory kernels for generalized Langevin thermostats in coarse-grained molecular dynamics simulations 

  Klippenstein, Viktor; Wolf, Niklas; van der Vegt, Nico (2024-04-17)

• Transferable Local Density-Dependent Friction in tert-Butanol/Water Mixtures 

  Mathes, Moritz; Klippenstein, Viktor; van der Vegt, Nico (2024)

• Data of the publication "Dynamical Coarse-grained Models of Molecular Liquids and their Ideal and Non-ideal Mixtures" 

  Tripathy, Madhusmita; Klippenstein, Viktor; van der Vegt, Nico (2023)

• Data of the publication: Bottom-up Informed and Iteratively Optimized Coarse-Grained Non-Markovian Water Models With Accurate Dynamics. 

  Klippenstein, Viktor; van der Vegt, Nico (2022)

• Data for Publication: Contact line friction and dynamic contact angles of a capillary bridge between superhydrophobic nanostructured surfaces 

  Lee, Eunsang; Müller-Plathe, Floiran (2022-01)

• Data of the publication: DosCalc: a parallelized tool to compute degree of freedom-separated density of states 

  Bernhardt, Marvin P. (2022)

• Data of the publication: Where Lennard-Jones Potentials Fail: Iterative Optimization of Ion–Water Pair Potentials Based on Ab Initio Molecular Dynamics Data 

  Bernhardt, Marvin P.; Nagata, Yuki; van der Vegt, Nico (2022-04)

• Data of the publication: Stability, Speed, and Constraints for Structural Coarse-Graining in VOTCA 

  Bernhardt, Marvin P.; Hanke, Martin; van der Vegt, Nico (2022-06)

• Data of the publication: Application of the 2PT model to understanding entropy change in molecular coarse-graining 

  Bernhardt, Marvin; Dallavalle, Marco; van der Vegt, Nico F. A. (2020)

• Data of the publication: Iterative integral equation methods for structural coarse-graining 

  Bernhardt, Marvin; Hanke, Martin; van der Vegt, Nico (2021-03)

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