Login
|
Deutsch
TU
|
ULB
|
TUdata
Toggle navigation
English
Deutsch (Deutschland)
Documentation
FAQs
Browse
All of TUdatalib
Communities
Titles
Authors
Type
By Submit Date
Subjects
DFG subject classifications
This Context
Titles
Authors
Type
By Submit Date
Subjects
DFG subject classifications
Toggle navigation
Recent submissions
TUdatalib Home
Technische Universität Darmstadt
07 Fachbereich Chemie
Eduard-Zintl-Institut für Anorganische und Physikalische Chemie
Physikalische Chemie
Computergestützte physikalische Chemie
Recent submissions
TUdatalib Home
Technische Universität Darmstadt
07 Fachbereich Chemie
Eduard-Zintl-Institut für Anorganische und Physikalische Chemie
Physikalische Chemie
Computergestützte physikalische Chemie
Recent submissions
JavaScript is disabled for your browser. Some features of this site may not work without it.
Search TUdatalib
This Community
Browse
All of TUdatalib
Communities
Titles
Authors
Type
By Submit Date
Subjects
DFG subject classifications
This Community
Titles
Authors
Type
By Submit Date
Subjects
DFG subject classifications
My Account
Login
Register
About
Contact Community Administrator
Computergestützte physikalische Chemie: Recent submissions
Now showing items 1-10 of 10
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 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
)