Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution

Dataset

Description

Dataset for publication of the same name

Funding: Engineering and Physical Sciences Research Council (EP/J004308/1), Royal Society of London

Projects: G8 Multilateral Research Funding INGENIOUS, Royal Society of Chemistry, Royal Academy of Engineering, Leverhulme Trust
Date made available2016
PublisherAston Data Explorer
Date of data production2016

Research Output

Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution

Korotkin, I., Nerukh, D., Tarasova, E., Farafonov, V. & Karabasov, S., Nov 2016, In : Journal of Computational Science. 17, part 2, p. 446-456 11 p.

Research output: Contribution to journalArticle

Open Access
File
  • Datasets

    Run Input file for MD simulation after 100ps at 200K (9f-3.tpr)

    Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

    Dataset

    Run Input file for MD simulation after 1ns at 300K(15f-3.tpr)

    Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

    Dataset

    Trajectory file of energy minimization of capsid(7f-3.trr)

    Nerukh, D. (Creator), Tarasova, E. (Contributor), Farafonov, V. (Contributor), Korotkin, I. (Contributor) & Karabasov, S. (Contributor), Aston Data Explorer, 24 Mar 2016

    Dataset

    Cite this

    Nerukh, D. (Creator) (2016). Two-phase flow analogy as an effective boundary condition for modelling liquids at atomistic resolution. Aston Data Explorer. 10.17036/de4b474e-0497-4aa4-9676-439644b1eb48