Our papers are the official record of our discoveries. They allow others to build on and apply our work. Each paper is the result of many months of research, so we make a special effort to make them clear, beautiful and inspirational, and publish them in leading journals.

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  • Dirac cones in two-dimensional borane

    Theory of materials

    MMTGABCPC. Pickard Physical Review B

    Dirac cones in 2D borane

    The structure of two-dimensional borane, a new semi-metallic single-layered material, has two Dirac cones that meet right at the Fermi energy.

  • Structures and stability of calcium and magnesium carbonates at mantle pressures

    Theory of materials

    CPC. PickardRN Physical Review B

    Structure and stability of salts

    The stable structures of calcium and magnesium carbonate at high pressures are crucial for understanding the Earth's deep carbon cycle.

  • Predicting interface structures: from  SrTiO 3  to graphene

    Theory of materials

    GSCPC. Pickard Physical Review B

    Predicting interface structures

    Generating random structures in the vicinity of a material’s defect predicts the low and high energy atomic structure at the grain boundary.