TUdatalib : Browsing 07 Fachbereich Chemie by Title

3D Printing of Ordered Mesoporous Silica Using Light-Induced Sol-Gel Chemistry:Public-Data

Gluns, Johanna; Zhao, Lucy; Spiehl, Dieter; Mikolei, Joanna Judith; pardehkhorram, raheleh; Ceolin, Marcelo; Andrieu-Brunsen, Annette (2024)

A Generic Model for pH-Sensitive Collapse of Hydrophobic Polymers

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

Argon Physisorption: NbC-CDC

Christians, Hauke; Brunnengräber, Kai; Gläsel, Jan; Etzold, Bastian J.M. (2020)

Argon Physisorption: SiC-CDC

Christians, Hauke; Brunnengräber, Kai; Gläsel, Jan; Etzold, Bastian J.M. (2020)

Argon Physisorption: TaC-CDC

Christians, Hauke; Brunnengräber, Kai; Gläsel, Jan; Etzold, Bastian J.M. (2020)

Argon Physisorption: TiC-CDC

Christians, Hauke; Brunnengräber, Kai; Gläsel, Jan; Etzold, Bastian J.M. (2020)

Argon Physisorption: VC-CDC

Christians, Hauke; Brunnengräber, Kai; Gläsel, Jan; Etzold, Bastian J.M. (2020)

Argon Physisorption: ZrC-CDC

Christians, Hauke; Brunnengräber, Kai; Gläsel, Jan; Etzold, Bastian J.M. (2020)

Bicyclic [4.3.1] aza-amides

Hausch, Felix; Kolos, Jürgen; Krewald, Vera (2020-07)

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 "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: 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: 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: 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: 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)

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: Iterative integral equation methods for structural coarse-graining

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

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: 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)

Browsing 07 Fachbereich Chemie by Title

3D Printing of Ordered Mesoporous Silica Using Light-Induced Sol-Gel Chemistry:Public-Data ﻿

A Generic Model for pH-Sensitive Collapse of Hydrophobic Polymers ﻿

Argon Physisorption: NbC-CDC ﻿

Argon Physisorption: SiC-CDC ﻿

Argon Physisorption: TaC-CDC ﻿

Argon Physisorption: TiC-CDC ﻿

Argon Physisorption: VC-CDC ﻿

Argon Physisorption: ZrC-CDC ﻿

Bicyclic [4.3.1] aza-amides ﻿

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

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

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

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

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

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

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

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

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

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

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

3D Printing of Ordered Mesoporous Silica Using Light-Induced Sol-Gel Chemistry:Public-Data

A Generic Model for pH-Sensitive Collapse of Hydrophobic Polymers

Argon Physisorption: NbC-CDC

Argon Physisorption: SiC-CDC

Argon Physisorption: TaC-CDC

Argon Physisorption: TiC-CDC

Argon Physisorption: VC-CDC

Argon Physisorption: ZrC-CDC

Bicyclic [4.3.1] aza-amides

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

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

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

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

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

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

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

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

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

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

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