TUdatalib : Recently added

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)

Eduard-Zintl-Institut für Anorganische und Physikalische Chemie: Recent submissions

A Generic Model for pH-Sensitive Collapse of Hydrophobic Polymers ﻿

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

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

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

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

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

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

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

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

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

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

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