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 mesoporous silica materials. It is organised as one folder for each figure used in the corresponding publication. The data has never been made public before.
|Date made available||24 Mar 2016|
|Publisher||University of Strathclyde|
|Temporal coverage||2014 - 2016|
Jorge, M. (Owner), Perez-Sanchez, G. (Creator) (24 Mar 2016). A multi-scale model for the templated synthesis of mesoporous silica: The essential role of silica oligomers. University of Strathclyde. info_MJ_HLC_paper(.zip), README(.txt). 10.15129/a079acae-9db4-4a62-bb30-11959fe19f6d