-
Data from "Extremely Small Twist Elastic Constants in Lyotropic Nematic Liqui... Dataset
Depolarized dynamic light scattering (DDLS) data, fit routine & fitting results -
Scripts for "Assessing the validity of NMR relaxation rates obtained from coa... Dataset
Simulations and data analysis scripts for the publication "Assessing the validity of NMR relaxation rates obtained from coarse-grained simulations". The dataset contains two... -
Pre-trained and fine-tuned ANI models for: Transfer learning for chemically a... Dataset
Pre-trained and fine-tuned ANI models using the Gaussian Moments Neural Network (GM-NN) approach. Code for GM-NN implemented within the Tensorflow framework, including the... -
Molecular simulation scripts for slit nanopores Dataset
GROMACS molecular simulation input files for slit nanopores made of NaCl and Na2SO4 solid walls, and filled with respectively NaCl and Na2SO4 solutions. Initial configuration... -
Molecular simulation scripts for bulk solutions Dataset
GROMACS molecular simulation input files for bulk solutions of NaCl and Na2SO4. Initial configuration with different salt concentration can be generated using the Python script... -
Viscosities 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... -
Viscosities 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... -
Self-diffusion coefficients 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... -
Tracer-diffusion coefficients 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 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...
