Molecular simulation study of the early stages of formation of bioinspired mesoporous silica materials

Dataset

Description

Contains all input files and output configurations use to produce molecular dynamics simulations using GROMACS software. The simulations form the basis of an atomistic modelling study of the formation of bioinspired silica materials. It is organised as one folder for each simulation reported in the corresponding publication. The data has never been made public before.
Date made available15 Jun 2016
PublisherUniversity of Strathclyde
Date of data production2014 - 2016

Research Output

Molecular simulation study of the early stages of formation of bioinspired mesoporous silica materials

Centi, A. & Jorge, M., 19 Jul 2016, In : Langmuir. 32, 28, p. 7228-7240 38 p.

Research output: Contribution to journalArticle

Open Access
File
  • 3 Citations (Scopus)
    298 Downloads (Pure)

    Projects

  • Computational modelling and design of nanoporous silica materials

    Jorge, M. & Centi, A.

    1/10/1330/09/16

    Project: Research - Studentship

    Equipment

  • Cite this

    Jorge, M. (Owner), Centi, A. (Creator) (15 Jun 2016). Molecular simulation study of the early stages of formation of bioinspired mesoporous silica materials. University of Strathclyde. input_bioinspired(ar.gz), README(.txt). 10.15129/f596b3b0-5285-46d2-8939-8a50aed20701