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||9 Feb 2017|
|Publisher||University of Strathclyde|
|Temporal coverage||2016 - 2017|
Jorge, M. (Creator) (9 Feb 2017). Molecular Simulations of the Synthesis of Periodic Mesoporous Silica Phases at High Surfactant Concentrations. University of Strathclyde. README(.txt), PMS_phase_diagram(.zip). 10.15129/cf144cdf-810e-4c12-ab81-5056ef03bd1a