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Publication: Veloza-Diaz et al (2025) - A kinetic model to simulate charge...
This repository contains the data and scripts necessary to reproduce the results presented in the manuscript "A kinetic model to simulate charge flow through an electro-chemical... -
Publication: Sevilla et al (2025) on Grand Canonical AdResS
Data related to Sevilla et al (2025), Density fluctuations, solvation thermodynamics, and coexistence curves in grand canonical mo-lecular dynamics simulations.... -
Publication: Cross-correlated friction correction in generalized Langevin...
This is just meta data. -
Publication: Dynamical coarse-grained models of molecular liquids and their...
The data that support the findings of the related publication. -
Publication: Bottom-Up Informed and Iteratively Optimized Coarse-Grained...
This entry provides all results (memory kernels, VACFS etc.) as text files, as well as input data for the AA model and the CG models discussed in the related publication... -
Publication: Transferable local density-dependent friction in...
The data that support the findings of the related publication. -
Publication: Cross-correlations in the fluctuation– dissipation relation...
The data that supports the findings of the related publication, input files for simulations, the raw data used to generate the figures, and an implementation of the GLEs... -
Publication: Memory effects in contact-line friction
The data that support the findings of the related Publication, input files for simulations, and the raw data used to generate the figures shown. -
Publication: Matching correlations matters: Modeling friction in a...
The data that support the findings in the related publication, input files for simulations. -
Publication: A Gauss–Newton method for iterative optimization of memory...
This entry contains files for simulations, raw data of the shown figures, and an implementations of IOMK-GN, IOMK, and the Gauss–Newton method for fitting memory kernels. -
Data supporting: A Generic Model for pH-Sensitive Collapse of Hydrophobic Polymers
This dataset contains input scripts and files to generate the data for the publication titled "A Generic Model for pH-Sensitive Collapse of Hydrophobic Polymers". -
Data supporting: Thermoresponsivity and Cononsolvency of a Minimal Polymer...
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... -
Data supporting: Pressure-induced pKa shifts influence conformations of...
This dataset contains input scripts and files to generate the data for the publication titled "Pressure-induced pKa shifts influence conformations of pH-sensitive polymers".