Papers
- Phase Transformations and Phase Segregation during Potassiation of SnxPy Anodes
A. W. Ells, M. L. Evans, M. F. Groh, A. J. Morris, L. E. Marbella
Chem. Mater., 34(16), 7460-7467 (2022) - optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
M. L. Evans, C. Andersen, S. Dwaraknath, M. Scheidgen, D. Winston
Journal of Open Source Software, 6(65), 3458 (2021) - OPTIMADE: an API for exchanging materials data
C. Andersen, R. Armiento, E. Blokhin, G. J. Conduit, S. Dwaraknath, M. L. Evans, A. Fekete, A. Gopakumar, S. Grazulis, A. Merkys, F. Mohamed, C. Oses, G. Pizzi, G-M. Rignanese, M. Scheidgen, L. Talirz, C. Toher, D. Winston, et al.
Sci. Data 8, 217 (2021) - Robust model benchmarking and bias-imbalance in data-driven materials science: a case study on MODNet
P-P. De Breuck, M. L. Evans, G-M. Rignanese
J. Phys.: Condens. Matter, 33, 404002 (2021) - matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations
M. L. Evans, A. J. Morris
Journal of Open Source Software, 5(54), 2563 (2020) - Computational Investigation of Copper Phosphides as Conversion Anodes for Lithium-Ion Batteries
A. F. Harper, M. L. Evans, A. J. Morris
Chem. Mater. 32(15), 6629-6639 (2020) - Ab initio Structure Prediction Methods for Battery Materials: A review of recent computational efforts to predict the atomic level structure and bonding in materials for rechargeable batteries,
A. F. Harper, M. L. Evans, J. P. Darby, B. Karasulu, C. P. Kocer, J. R. Nelson, A. J. Morris
Johnson Matthey Technology Review 64, 2 (2020) - (De)Sodiation via Helical Phosphorus Intermediates in High Capacity Anodes for Sodium-ion Batteries
L. E. Marbella, M. L. Evans, M. Groh, J. N. Nelson, K. J. Griffith, A. J. Morris, C. P. Grey
J. Am. Chem. Soc. 140, 7994-8004 (2018) - Interactions between unidirectional quantized vortex rings
T. Zhu, M. L. Evans, R. A. Brown, P. M. Walmsley, A. I. Golov
Phys. Rev. Fluids 1, 044502 (2016)