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Technische Universität Darmstadt
07 Fachbereich Chemie
Eduard-Zintl-Institut für Anorganische und Physikalische Chemie
Recent submissions
TUdatalib Home
Technische Universität Darmstadt
07 Fachbereich Chemie
Eduard-Zintl-Institut für Anorganische und Physikalische Chemie
Recent submissions
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Eduard-Zintl-Institut für Anorganische und Physikalische Chemie: Recent submissions
Now showing items 1-10 of 10
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
)