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.
Theoretical searches propose 2D borane as a new graphene-like material which is stable and semi-metallic with Dirac cone structure.
Predicting stable structures of calcium and magnesium carbonate is crucial for understanding the Earth's deep carbon cycle.
Generating random structures in the vicinity of a material’s defect predicts the low and high energy atomic structure at the grain boundary.