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Matthew L Evans
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Sodiation and desodiation via helical phosphorus intermediates in high-capacity anodes for sodium-ion batteries
LE Marbella, ML Evans, MF Groh, J Nelson, KJ Griffith, AJ Morris, CP Grey
Journal of the American Chemical Society 140 (25), 7994-8004, 2018
962018
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ...
Scientific Data 8 (217), 2021
842021
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon
KM Jablonka, Q Ai, A Al-Feghali, S Badhwar, JD Bocarsly, AM Bran, ...
Digital Discovery 2 (5), 1233-1250, 2023
452023
Robust model benchmarking and bias-imbalance in data-driven materials science: a case study on MODNet
PP De Breuck, ML Evans, GM Rignanese
J. Phys.: Condens. Matter 33, 404002, 2021
342021
Computational investigation of copper phosphides as conversion anodes for lithium-Ion batteries
AF Harper, ML Evans, AJ Morris
Chemistry of Materials 32 (15), 6629-6639, 2020
252020
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 …
AF Harper, ML Evans, JP Darby, B Karasulu, CP Koçer, JR Nelson, ...
Johnson Matthey Technology Review 64 (2), 103-118(16), 2020
192020
Interactions between unidirectional quantized vortex rings
T Zhu, ML Evans, RA Brown, PM Walmsley, AI Golov
Physical Review Fluids 1 (4), 044502, 2016
142016
matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations
ML Evans, AJ Morris
Journal of Open Source Software 5 (54), 2563, 2020
132020
optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
ML Evans, CW Andersen, S Dwaraknath, M Scheidgen, Á Fekete, ...
Journal of Open Source Software 6 (65), 3458, 2021
72021
Machine Learning-Accelerated Discovery of A2BC2 Ternary Electrides with Diverse Anionic Electron Densities
Z Wang, Y Gong, ML Evans, Y Yan, S Wang, N Miao, R Zheng, ...
Journal of the American Chemical Society 145 (48), 26412-26424, 2023
62023
Jobflow: Computational Workflows Made Simple
AS Rosen, M Gallant, J George, J Riebesell, H Sahasrabuddhe, JX Shen, ...
Journal of Open Source Software 9 (93), 5995, 2024
52024
Phase Transformations and Phase Segregation during Potassiation of SnxPy Anodes
AW Ells, ML Evans, MF Groh, AJ Morris, LE Marbella
Chemistry of Materials 34 (16), 7460-7467, 2022
52022
PASCal Python: A Principal Axis Strain Calculator
M Lertkiattrakul, ML Evans, MJ Cliffe
Journal of Open Source Software 8 (90), 5556, 2023
42023
The OPTIMADE Specification
C Andersen, R Armiento, E Blokhin, G Conduit, S Dwaraknath, M Evans, ...
42020
Correction to structure prediction of Li–Sn and Li–Sb intermetallics for lithium-ion batteries anodes
M Mayo, JP Darby, ML Evans, JR Nelson, AJ Morris
Chemistry of Materials 30 (15), 5516-5517, 2018
32018
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
M Evans, J Bergsma, A Merkys, C Andersen, OB Andersson, D Beltrán, ...
Digital Discovery, 2024
22024
Optical materials discovery and design with federated databases and machine learning
V Trinquet, ML Evans, CJ Hargreaves, PP De Breuck, GM Rignanese
arXiv preprint arXiv:2405.11393, 2024
2024
Crystal structure prediction for rechargeable battery anodes
ML Evans
University of Cambridge, 2023
2023
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