Relationship of Crystal Structure to Interionic Interactions in the Lithium-manganese Spinel Oxides. - Pawel Adam Piszora; C. Richard A. Catlow; Scott M. Woodley; Emilia Wolska (Comput. Chem., 2000)

Structure Refinement of Quaternary Spinel Oxides - Experiments and Modelling. - Emilia Wolska; C. Richard A. Catlow; Pawel Adam Piszora; Scott M. Woodley (Comput. Chem., 2000)

Zinc oxide: A case study in contemporary computational solid state chemistry. - C. Richard A. Catlow; Samuel A. French; Alexey A. Sokol; Abdullah A. Al-Sunaidi; Scott M. Woodley (J. Comput. Chem., 2008)

Introducing k-point parallelism into VASP. - Asimina Maniopoulou; Erlend R. M. Davidson; Ricardo Grau-Crespo; Aron Walsh; Ian J. Bush; C. Richard A. Catlow; Scott M. Woodley (Comput. Phys. Commun., 2012)

ExCALIBUR - U.K.'s Preparation for the Arrival of the Next Generation of HPC. - Timo Betcke; Hans-Joachim Bungartz; Garth N. Wells; Scott M. Woodley (Comput. Sci. Eng., 2022)

Materials and Molecular Modeling at the Exascale. - Thomas W. Keal; Alin-Marin Elena; Alexey A. Sokol; Karen Stoneham; Matt I. J. Probert; Clotilde S. Cucinotta; David J. Willock; Andrew J. Logsdail; Andrea Zen; Phil J. Hasnip; Ian J. Bush; Matthew B. Watkins; et al. (Comput. Sci. Eng., 2022)

Atomic Simulation Interface (ASI): application programming interface for electronic structure codes. - Pavel V. Stishenko; Thomas W. Keal; Scott M. Woodley; Volker Blum; Benjamin Hourahine; Reinhard Johann Maurer; Andrew J. Logsdail (J. Open Source Softw., 2023)