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Willing to supervise PhD

The Computational Design of Nanostructured Biomimetic Catalysts

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Research Output

  • 29 Article
  • 4 Conference contribution

N-Doped Fe@CNT for Combined RWGS/FT CO 2 Hydrogenation

Williamson, D. L., Herdes, C., Torrente-Murciano, L., Jones, M. D. & Mattia, D., 1 Apr 2019, In : ACS Sustainable Chemistry and Engineering. 7, 7, p. 7395-7402

Research output: Contribution to journalArticle

4 Citations (Scopus)

Combined experimental, theoretical and molecular simulation approach for the description of the fluid phase behavior of hydrocarbon mixtures within shale rocks

Herdes, C., Petit, C., Mejía, A. & Müller, E. A., 17 May 2018, In : Energy & Fuels. 32, 5, p. 5750-5762 13 p.

Research output: Contribution to journalArticle

Open Access
  • 12 Citations (Scopus)

    Crystallization processes in bi-component thin film depositions: towards a realistic Kinetic Monte-Carlo simulation

    Martínez-Martínez, D., Herdes, C. & Vega, L. F., 15 Jun 2018, In : Surface & Coatings Technology. 343, p. 38-48 11 p.

    Research output: Contribution to journalArticle

    Open Access
  • 1 Citation (Scopus)
    28 Downloads (Pure)

    Prediction of the water/oil interfacial tension from molecular simulations using the coarse-grained SAFT-γ Mie force field

    Herdes, C., Ervik, Å., Mejía, A. & Müller, E. A., 25 Nov 2018, In : Fluid Phase Equilibria. 476, Part A, p. 9-15 7 p.

    Research output: Contribution to journalArticle

    Open Access
  • 12 Citations (Scopus)
    115 Downloads (Pure)


    Dataset for: N-doped Fe@CNT for combined RWGS/FT CO2 hydrogenation

    Williamson, D. (Creator), Herdes Moreno, C. (Creator), Torrente Murciano, L. (Creator), Jones, M. (Creator), Mattia, D. (Creator), University of Bath, 11 Mar 2019



    Gas Separation Exploiting Molecular Trapdoors in Small Pore Zeolites

    Author: Alexander, T., 17 Jul 2019

    Supervisor: Duren, T. (Supervisor), Herdes, C. (Supervisor), Ting, V. (Supervisor) & Morrison, C. A. (External person) (Advisor)

    Student thesis: Doctoral ThesisPhD