Data for: "The Role of Charge-Matching in Nanoporous Materials Formation"

Dataset

Description

The zip archive contains all input files and output configurations use to produce molecular dynamics simulations using GROMACS software. The simulations form the basis of a multiscale modelling study of the formation of HMS materials. The correspondence between the folders and the figures in the paper is provided in the adjoining Word document. The data has never been made public before.
Date made available9 Oct 2019
PublisherUniversity of Strathclyde

Cite this

Jorge, M. (Creator). (9 Oct 2019). Data for: "The Role of Charge-Matching in Nanoporous Materials Formation". University of Strathclyde. HMS_input_data(r.zip), file_list_HMS, README(.docx). 10.15129/8f589df4-a60e-4af1-bd24-d3376c25eea9