32 datasets found

The data for the Bachelor Thesis of Julia Keil. It includes DOS calculations and non-equilibrium MD simulations. There are two different force fields, Charm and Amber, and three...

This data contains the input files, scripts ,and the computed values to reproduce the results in the manuscript titled: Thermoresponsivity and Cononsolvency of a Minimal Polymer...

Datasets of the figures shown in the article with the same title as this submission. Original manuscript submitted to The Journal of Chemical Physics in October 2025. Revised...

This dataset contains the results (measured mole fractions and estimated uncertainty over time) published in the paper ''High-Sensitivity Gas-Phase Raman Spectroscopy for...

Data for the publication: A unique piezolyte mechanism of TMAO: Hydrophobic interactions under extreme pressure conditions

This data is an example data of the simulation of a capillary bridge between two superhydrophobic rough surfaces under steady shear. One can reproduce the results of the paper...

Jupyter notebook files, tabulated potentials, and simulation files for the publication.

Jupyter notebook file and simulation data and density of states

Jupyter notebook files, tabulated potentials, and simulation files for the publication.

Jupyter notebook files, tabulated potentials, and simulation files for the publication.

Concentration gradients in evaporating binary droplets probed by spatially resolved Raman and NMR spectroscopy

Dissipative particle dynamics simulation software suitable for simulations of droplet dynamics, polymeric materials and other complex fluids

Jupyter notebook files, tabulated potentials, simulation files, and density of states for the publication.

Jupyter notebook file and simulation data and results

Atomistic and coarse-grained models, memory kernels, structural and dynamic properties. Jupyter notebook files for reproducing the figures in the publication.

Based on fluorescence microscopy, the electrophoretic transfer of proteins across the liquid–liquid interface in microfluidic aqueous two-phase systems (ATPS) was investigated....

Input files and memory kernels for atomistic and coarse-grained simulations. Data files for structural and dynamical properties.

This repository contains the data of the publication: 1) simulation data, models 2) local density-dependent Langevin thermostat for LAMMPS 3) analysis scripts 4) figures...

Atomistic and coarse-grained models (LAMMPS input), memory kernels, structural and dynamic properties.

NMR Rohdaten, Raman Mikroskopie Rohdaten, Rohdaten Atmosphärensensor, Rohdaten Seitenkamera, Pythonauswerteskripte für NMR und Raman.