All Stories

  1. Scrolling of Supramolecular Lamellae in the Hierarchical Self-Assembly of Fibrous Gels

    Article • Chem, October 2017, Elsevier

    Dr Martin Walker

  2. Development of new coarse-grained models for chromonic liquid crystals: insights from top-down approaches

    Article • Liquid Crystals, June 2017, Taylor & Francis

    Dr Martin Walker, Mark Wilson

  3. Molecular dynamics simulations of the structure and the morphology of graphene/polymer nanocomposites

    Article • Physical Chemistry Chemical Physics, January 2017, Royal Society of Chemistry

    Dr Martin Walker, Mark Wilson

  4. Enhancement of the helical twisting power with increasing the terminal chain length of nonchiral bent-core molecules doped in a chiral nematic liquid crystal

    Article • RSC Advances, January 2017, Royal Society of Chemistry

    Dr Martin Walker, Mark Wilson

  5. Formation of complex self-assembled aggregates in non-ionic chromonics: dimer and trimer columns, layer structures and spontaneous chirality

    Article • Soft Matter, January 2016, Royal Society of Chemistry

    Dr Martin Walker, Mark Wilson

  6. Simulation insights into the role of antiparallel molecular association in the formation of smectic A phases

    Article • Soft Matter, January 2016, Royal Society of Chemistry

    Dr Martin Walker, Mark Wilson

  7. A Simple Model for Chromonic Aggregation

    Article • Molecular Crystals and Liquid Crystals, May 2015, Taylor & Francis

    Dr Martin Walker, Mark Wilson

  8. Thermodynamics of the self-assembly of non-ionic chromonic molecules using atomistic simulations. The case of TP6EO2M in aqueous solution

    Article • Soft Matter, January 2015, Royal Society of Chemistry

    Dr Martin Walker, Mark Wilson

  9. Self-assembly and mesophase formation in a non-ionic chromonic liquid crystal system: insights from dissipative particle dynamics simulations

    Article • Physical Chemistry Chemical Physics, January 2014, Royal Society of Chemistry

    Dr Martin Walker, Mark Wilson

  10. Performance of M06, M06-2X, and M06-HF Density Functionals for Conformationally Flexible Anionic Clusters: M06 Functionals Perform Better than B3LYP for a Model System with Dispersion and Ionic Hydrogen-Bonding Interactions

    Article • The Journal of Physical Chemistry A, November 2013, American Chemical Society (ACS)

    Dr Martin Walker

  11. Complexation of anions to gas-phase amino acids: Conformation is critical in determining if the global minimum is canonical or zwitterionic

    Article • Chemical Physics Letters, November 2013, Elsevier

    Dr Martin Walker

  12. Computer simulation of the columnar phases of liquid crystalline bolaamphiphiles

    Article • Liquid Crystals, November 2011, Taylor & Francis

    Dr Martin Walker

  13. Self-Assembly at Different Length Scales: Polyphilic Star-Branched Liquid Crystals and Miktoarm Star Copolymers

    Article • Advanced Functional Materials, March 2011, Wiley

    Dr Martin Walker

  14. Computer Simulation of the Pentagonal Columnar Phase of Liquid Crystalline Bolaamphiphiles

    Article • Molecular Crystals and Liquid Crystals, July 2010, Taylor & Francis

    Dr Martin Walker

  15. Dissipative particle dynamics simulation of quaternary bolaamphiphiles: multi-colour tiling in hexagonal columnar phases

    Article • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry

    Dr Martin Walker

  16. Dissipative particle dynamics simulation of T- and X-shaped polyphilic molecules exhibiting honeycomb columnar phases

    Article • Soft Matter, January 2009, Royal Society of Chemistry

    Dr Martin Walker

  17. Liquid-Crystalline Kagome

    Article • Angewandte Chemie International Edition, November 2008, Wiley

    Dr Martin Walker

  18. A new high pressure phase of sodium formate dihydrate; an experimental and computational study

    Article • Dalton Transactions, January 2007, Royal Society of Chemistry

    Dr Martin Walker

  19. Nitric acid dihydrate at ambient and high pressure: An experimental and computational study

    Article • Physical Review B, June 2006, American Physical Society (APS)

    Dr Martin Walker

  20. Nitric acid monohydrates at high pressure: An experimental and computational study

    Article • Physical Review B, December 2005, American Physical Society (APS)

    Dr Martin Walker