Strategies for modelling of catalysts. - C. Richard A. Catlow (J. Comput. Aided Mol. Des., 1988)

The Relaxation of Molecular Crystal Structures Using a Distributed Multipole Electrostatic Model. - David J. Willock; Sally L. Price; Maurice Leslie; C. Richard A. Catlow (J. Comput. Chem., 1995)

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)

Computational Grids for Mid-Sized Collaborative Projects: The eMinerals Experience. - Martin T. Dove; Toby O. H. White; Andrew M. Walker; Richard Paul Bruin; Kat F. Austen; Emilio Artacho; L. A. Sullivan; Mark Calleja; Matthew G. Tucker; Rik P. Tyer; Philip A. Couch; Kerstin Kleese van Dam; et al. (e-Science, 2006)

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)

Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds. - John Buckeridge; David O. Scanlon; Aron Walsh; C. Richard A. Catlow (Comput. Phys. Commun., 2014)

A Workflow Demonstrator for Processing Catalysis Research Data. - Abraham Nieva de la Hidalga; Donato Decarolis; Shaojun Xu; Santhosh Matam; Willinton Yesid Hernández Enciso; Josephine Goodall; Brian Matthews; C. Richard A. Catlow (Data Intell., 2022)