Winton Advanced Research Fellow
The Nanoscience Centre,
11, JJ Thomson Avenue
Cambridge CB3 0HE
I did a Ph.D. in the Theory of Condensed Matter Group in the Cavendish Laboratory. I worked with the group of Richard Needs and Mike Towler using the Quantum Monte Carlo computer code CASINO on a project about BEC-BCS crossover in ultra-cold atomic systems. In the final two years of my Ph.D. I began collaborating with Chris Pickard where I modified his AIRSS method to be suitable to discover point defects in semiconductors. Throughout this project I used the planewave DFT code CASTEP. I then spent three years as a research associate with Prof. Chris Pickard's group in the Condensed Matter and Materials group of the Department of Physics and Astronomy at University College London, before returning to Cambridge as a Winton Fellow.
My current interest is in applying the AIRSS method to a range of different materials science problems, focussing mainly on lithium-ion batteries. "Trial and error" plays a large part in the discovery of new materials. From the initial idea, the material must be synthesised and categorised before it can tested which is slow, difficult and expensive. High-throughput computation accelerates this process by suggesting then screening new materials, allowing us to ask "what if?" without the time and expense of manufacturing and categorizing samples. I model Li-ion batteries at the atomic level and try to uncover new materials to increase their capacity.
I use global search techniques such as ab initio random structure searching (AIRSS) to predict the ground-state structure of materials. From the ground state we use theoretical spectroscopy techniques to compare our results to experiment. As a junior developer of the electronic structure code CASTEP I develop tools for optics, electron-energy loss spectroscopy (EELS) and core-loss analysis through the OptaDOS code. I use and modify CASTEP-NMR to calculate the chemical shielding of battery materials in collaboration with experimentalists.
A. S. Ivanov, A. J. Morris, K. V. Bozhenko, C. J. Pickard and A. I. Boldyrev. "Inorganic Double Helix Structures of Unusually Simple Li-P Species". Angew. Chem. 51, 33, 8330, (2012)
T. K.-J. Koster, E. Salager, A. J. Morris, B. Key, V. Seznec, M. Morcrette, C. J. Pickard and C. P. Grey "Silicon Connectivities and Lithium Coordination in Li12Si7 as Determined by Solid State Nuclear Magnetic Resonance Spectroscopy" Angew. Chem. 123, 52, 12799, (2011)
A. J. Morris, M. Stankovski, K. Delaney, P. Rinke, P. Garcia-Gonzales, R. W. Godby "Vertex Corrections in localised and extended systems". Phys. Rev. B 76, 155106 (2007)
A. J. Morris, C. J. Pickard and R. J. Needs. "Hydrogen/silicon complexes in silicon from computational searches" Phys. Rev. B 78, 184102 (2008)
A. J. Morris, P. Lopez Rios and R. J. Needs. "Ultracold atoms at unitarity within quantum Monte Carlo" Phys. Rev. A 81, 033619 (2010)
A. J. Morris, C. P. Grey, R. J. Needs and C. J. Pickard. "Energetics of hydrogen/lithium complexes in silicon analyzed using the Maxwell construction" Phys. Rev. B 84, 224106 (2011)