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 available||9 Oct 2019|
|Publisher||University of Strathclyde|
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