TUdatalib : Eduard-Zintl-Institut für Anorganische und Physikalische Chemie

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Eduard-Zintl-Institut für Anorganische und Physikalische Chemie

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Anorganische Chemie [0]

Physikalische Chemie [14]

Recent Submissions

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

Ionization potentials of metal clusters studied with a broad range, tunable vacuum ultraviolet light source. ﻿

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 ﻿

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

Ionization potentials of metal clusters studied with a broad range, tunable vacuum ultraviolet light source.

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