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Now showing items 1-10 of 14

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

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

A Generic Model for pH-Sensitive Collapse of Hydrophobic Polymers

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

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)

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: DosCalc: a parallelized tool to compute degree of freedom-separated density of states

Bernhardt, Marvin P. (2022)

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 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)

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 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: 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)

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