Dr Andrew J Morris M.Phys, PhD

Dr Andrew Morris

School of Metallurgy and Materials
Senior Birmingham Fellow

Contact details

School of Metallurgy and Materials

Andrew Morris is a Senior Birmingham fellow. His research group uses and develops quantum mechanical techniques for predicting the structure and properties of new materials using a computer. He is lead developer of the OptaDOS  computer programme - developed for predicting EELS and XANES spectra of materials from first principles calculations. Please visit the A. J. Morris Group website to find out more about his research.


PhD in Physics, University of Cambridge, UK, 2009
MPhys in Theoretical Physics, University of York, UK, 2006

Postgraduate supervision

Density-functional theory, battery applications, first principles modelling and spectroscopy.


Andrew’s 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 be 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. His group models Li-ion batteries at the atomic level and try to uncover new materials to increase their capacity.

He uses global search techniques such as AIRSS to predict the ground-state structure of materials. From the ground state his research group uses theoretical spectroscopy techniques to compare their results to experiment. As a junior developer of the electronic structure code CASTEP and a member of the UK Car-Parinello consortium, he develops tools for optics, electron-energy loss spectroscopy (EELS) and core-loss analysis through the OptaDOS code. He uses and modifies CASTEP-NMR to calculate the chemical shielding of battery materials in collaboration with experimentalists.



Recent publications


Karasulu, B, Emge, SP, Groh, MF, Grey, CP & Morris, AJ 2020, 'Al/Ga-Doped Li 7 La 3 Zr 2 O 12 Garnets as Li-Ion Solid-State Battery Electrolytes: Atomistic Insights into Local Coordination Environments and Their Influence on 17 O, 27 Al, and 71 Ga NMR Spectra', Journal of the American Chemical Society, vol. 142, no. 6, pp. 3132-3148. https://doi.org/10.1021/jacs.9b12685

Griffith, KJ, Seymour, ID, Hope, MA, Butala, MM, Lamontagne, LK, Preefer, MB, Koçer, CP, Henkelman, G, Morris, AJ, Cliffe, MJ, Dutton, SE & Grey, CP 2019, 'Ionic and electronic conduction in TiNb2O7', Journal of the American Chemical Society, vol. 141, no. 42, pp. 16706-16725. https://doi.org/10.1021/jacs.9b06669

Koçer, CP, Griffith, KJ, Grey, CP & Morris, AJ 2019, 'Cation disorder and lithium insertion mechanism of Wadsley–Roth crystallographic shear phases from first principles', Journal of the American Chemical Society, vol. 141, no. 38, pp. 15121-15134. https://doi.org/10.1021/jacs.9b06316

Arhangelskis, M, Katsenis, AD, Novendra, N, Akimbekov, Z, Gandrath, D, Marrett, JM, Ayoub, G, Morris, AJ, Farha, OK, Friščić, T & Navrotsky, A 2019, 'Theoretical prediction and experimental evaluation of topological landscape and thermodynamic stability of a fluorinated zeolitic imidazolate framework', Chemistry of Materials, vol. 31, no. 10, pp. 3777-3783. https://doi.org/10.1021/acs.chemmater.9b00994

Titi, HM, Marrett, JM, Dayaker, G, Arhangelskis, M, Mottillo, C, Morris, AJ, Rachiero, GP, Friščić, T & Rogers, RD 2019, 'Hypergolic zeolitic imidazolate frameworks (ZIFs) as next-generation solid fuels: unlocking the latent energetic behavior of ZIFs', Science Advances, vol. 5, no. 4, eaav9044. https://doi.org/10.1126/sciadv.aav9044

Koçer, CP, Griffith, KJ, Grey, CP & Morris, AJ 2019, 'First-principles study of localized and delocalized electronic states in crystallographic shear phases of niobium oxide', Physical Review B, vol. 99, no. 7, 075151 . https://doi.org/10.1103/PhysRevB.99.075151

Lisac, K, Topić, F, Arhangelskis, M, Cepić, S, Julien, PA, Nickels, CW, Morris, AJ, Friščić, T & Cinčić, D 2019, 'Halogen-bonded cocrystallization with phosphorus, arsenic and antimony acceptors', Nature Communications, vol. 10, no. 1, 61. https://doi.org/10.1038/s41467-018-07957-6

Cliffe, M, Keyzer, E, Dunstan, MT, Ahmad, S, De Volder, M, Deschler, F, Morris, AJ & Grey, CP 2018, 'Strongly coloured thiocyanate frameworks with perovskite-analogue structures', Chemical Science. https://doi.org/10.1039/C8SC04082F

Morris, AJ & Monserrat, B 2018, 'Optical absorption driven by dynamical symmetry breaking in indium oxide', Physical Review B, vol. 98, no. 16, 161203. https://doi.org/10.1103/PhysRevB.98.161203

Park, D, Rees, GJ, Wang, H, Rata, D, Morris, AJ, Maznichenko, IV, Ostanin, S, Bhatnagar, A, Choi, C, Jónsson, RDB, Kaufmann, K, Kashtiban, R, Walker, M, Chiang, C, Thorsteinsson, EB, Luo, Z, Park, I, Hanna, JV, Mertig, I, Dörr, K, Gíslason, HP & Mcconville, CF 2018, 'Electromagnetic functionalization of wide-bandgap dielectric oxides by boron interstitial doping', Advanced Materials, vol. 30, no. 39, 1802025. https://doi.org/10.1002/adma.201802025

Arhangelskis, M, Jochym, DB, Bernasconi, L, Friščić, T, Morris, AJ & Jones, W 2018, 'Time-dependent density-functional theory for modeling solid-state fluorescence emission of organic multicomponent crystals', The Journal of Physical Chemistry A, vol. 122, no. 37, pp. 7514-7521. https://doi.org/10.1021/acs.jpca.8b03481

Zhang, Y, Lucier, BEG, Mckenzie, SM, Arhangelskis, M, Morris, AJ, Friščić, T, Reid, JW, Terskikh, VV, Chen, M & Huang, Y 2018, 'Welcoming gallium- and indium-fumarate MOFs to the family: synthesis, comprehensive characterization, observation of porous hydrophobicity, and CO2 dynamics', ACS Applied Materials & Interfaces, vol. 10, no. 34, pp. 28582-28596. https://doi.org/10.1021/acsami.8b08562

Oliynyk, AO, Gaultois, MW, Hermus, M, Morris, A, Mar, A & Brgoch, J 2018, 'Searching for Missing Binary Equiatomic Phases: Complex Crystal Chemistry in the Hf−In System', Inorganic Chemistry, vol. 57, no. 13, pp. 7966-7974. https://doi.org/10.1021/acs.inorgchem.8b01122, https://doi.org/10.1021/acs.inorgchem.8b01122

Marbella, LE, Evans, ML, Groh, MF, Nelson, J, Griffith, KJ, Morris, A & Grey, CP 2018, 'Sodiation and Desodiation via Helical Phosphorus Intermediates in High-Capacity Anodes for Sodium-Ion Batteries', Journal of the American Chemical Society, vol. 140, no. 25, pp. 7994–8004. https://doi.org/10.1021/jacs.8b04183


Mayo, M, Darby, JP, Evans, ML, Nelson, JR & Morris, AJ 2018, 'Correction to structure prediction of Li-Sn and Li-Sb intermetallics for Lithium-Ion batteries anodes', Chemistry of Materials, vol. 30, no. 15, pp. 5516-5517. https://doi.org/10.1021/acs.chemmater.8b02803

View all publications in research portal