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Densities of experimental aqueous methanol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Densities of experimental aqueous glycerol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Self-diffusion coefficients of simulated aqueous glycerol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Self-diffusion coefficients of simulated aqueous methanol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Densities of simulated aqueous glycerol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Densities of simulated aqueous methanol mixtures Dataset
In order to make thermophysical properties of complex liquid mixtures available to a comprehensive analysis, we developed a data management and analysis platform based on the... -
Supplementary material for 'Predicting and rationalizing the Soret coefficien... Dataset
Supplementary material for 'Predicting and rationalizing the Soret coefficient of binary Lennard-Jones mixtures in the liquid state' (N. E. R. Zimmermann, G. Guevara-Carrion, J.... -
Data for: FAIR and scalable management of small-angle X-ray scattering data Dataset
This dataset contains small-angle X-ray scattering (SAXS) measurements on various octyltrimethylammonium bromide (OTAB)/water and octyltrimethylammonium chloride (OTAC)/water... -
Movies of thin film water on rough NaCl surface Dataset
Videos showing water molecules at a rough sodium chloride solid surface for different roughness and different water chemical potential. The force field for the water is... -
Movies of thin film water on NaCl(100) surface Dataset
Videos showing water molecules at a sodium chloride (NaCl) solid surface for different water content. The force field for the water is TIP4P/epsilon... -
Molecular simulation scripts for thin film water on NaCl surface Dataset
LAMMPS and GROMACS molecular simulation input files. The system consists of thin film water confined in a 7 nm NaCl slit pore, and can be generated using the Python scripts in... -
Supplementary material for 'Influence of Layer Slipping on Adsorption of Ligh... Dataset
This dataset contains results from Grand Canonical Monte Carlo (GCMC) Simulation (data/isotherms_sim/) and experiment (data/isotherms/exp). All Data is presented in a jupyter... -
Electronic Supporting Information and Data for: Simulations Explain the Swell... Dataset
Electronic supporting information, simulation scripts, simulation data and plotting scripts for the paper "Simulations Explain the Swelling Behavior of Hydrogels with... -
Replication data of C6 group for: "A thermalized electrokinetics model includ... Dataset
All primary data files of measurements and processed data of the journal article mentioned under related publications from C6 group can be found here. The data is structured... -
Electronic Supporting Information and Data for: The pH-dependent Swelling of ... Dataset
Electronic supporting information, simulation scripts, simulation data and plotting scripts for the paper "The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at... -
Data for: Correlation of mitochondrial TOM core complex stop-and-go and open-... Dataset
The role of lateral diffusion of proteins in the membrane in the context of function has not been examined extensively. The data set addresses the relationship between protein... -
Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for... Dataset
Code and documentation for the improved Gaussian Moments Neural Network (GM-NN). An updated version can be found on GitLab -
Supplementary material for 'Exploring the Effect of Enhanced Sampling on Prot... Dataset
Supplementary material for 'Exploring the Effect of Enhanced Sampling on Protein Stability Prediction' containing files to (re-)execute GROMACS simulations performed during the... -
Supplementary material for 'Binding free energies for the SAMPL8 CB8 "Drugs o... Dataset
Binding affinities of seven drug molecules (G1-G7) towards a common receptor (cucurbit[8]uril, CB8) were estimated from molecular dynamics (MD) simulations in the scope of the... -
Supplementary material for 'Umbrella sampling and double decoupling data for ... Dataset
This dataset contains all relevant simulation input files (topologies, coordinates, simulation parameters), generated simulation output (final configurations, time series of...
