Yusuf Hamied Department of Chemistry

Dr Matthew Evans

Research Fellow

I am a Leverhulme Trust Early Career Research Fellow in the group of Professor Dame Clare Grey FRS in the Yusuf Hamied Department of Chemistry at the University of Cambridge. My research focuses on the development of the open source datalab platform and infrastructure for experimental data management in materials chemistry as a substrate for data- and AI-driven approaches to materials discovery and design.

Publications

Phase Transformations and Phase Segregation during Potassiation of SnxPy Anodes
AW Ells, ML Evans, MF Groh, AJ Morris, LE Marbella
Chem Mater
(2022)
34
(doi: 10.1021/acs.chemmater.2c01570)
optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
M Evans, C Andersen, S Dwaraknath, M Scheidgen, Á Fekete, D Winston
The Journal of Open Source Software
(2021)
6
(doi: 10.21105/joss.03458)
OPTIMADE, an API for exchanging materials data.
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ML Evans, Á Fekete, A Gopakumar, S Gražulis, A Merkys, F Mohamed, C Oses, G Pizzi, G-M Rignanese, M Scheidgen, L Talirz, C Toher, D Winston, R Aversa, K Choudhary, P Colinet, S Curtarolo, D Di Stefano, C Draxl, S Er, M Esters, M Fornari, M Giantomassi, M Govoni, G Hautier, V Hegde, MK Horton, P Huck, G Huhs, J Hummelshøj, A Kariryaa, B Kozinsky, S Kumbhar, M Liu, N Marzari, AJ Morris, AA Mostofi, KA Persson, G Petretto, T Purcell, F Ricci, F Rose, M Scheffler, D Speckhard, M Uhrin, A Vaitkus, P Villars, D Waroquiers, C Wolverton, M Wu, X Yang
Scientific data
(2021)
8
(doi: 10.1038/s41597-021-00974-z)
Robust model benchmarking and bias-imbalance in data-driven materials science: a case study on MODNet.
P-P De Breuck, ML Evans, G-M Rignanese
Journal of Physics Condensed Matter
(2021)
33
(doi: 10.1088/1361-648x/ac1280)
OPTIMADE, an API for exchanging materials data
CW Andersen, R Armiento, E Blokhin, GJ Conduit, S Dwaraknath, ML Evans, Á Fekete, A Gopakumar, S Gražulis, A Merkys, F Mohamed, C Oses, G Pizzi, G-M Rignanese, M Scheidgen, L Talirz, C Toher, D Winston, R Aversa, K Choudhary, P Colinet, S Curtarolo, D Di Stefano, C Draxl, S Er, M Esters, M Fornari, M Giantomassi, M Govoni, G Hautier, V Hegde, MK Horton, P Huck, G Huhs, J Hummelshøj, A Kariryaa, B Kozinsky, S Kumbhar, M Liu, N Marzari, AJ Morris, A Mostofi, KA Persson, G Petretto, T Purcell, F Ricci, F Rose, M Scheffler, D Speckhard, M Uhrin, A Vaitkus, P Villars, D Waroquiers, C Wolverton, M Wu, X Yang
(2021)
(doi: 10.48550/arxiv.2103.02068)
The OPTIMADE Specification
C Andersen, R Armiento, E Blokhin, G Conduit, S Dwaraknath, M Evans, A Fekete, A Gopakumar, S Gražulis, V Hegde, M Horton, S Kumbhar, N Marzari, A Merkys, F Mohamed, A Morris, C Oses, G Pizzi, T Purcell, G-M Rignanese, M Scheffler, M Scheidgen, L Talirz, C Toher, M Uhrin, D Winston, C Wolverton
(2020)
(doi: 10.5281/zenodo.4195051)
matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations
M Evans, A Morris
Journal of Open Source Software
(2020)
5
(doi: 10.21105/joss.02563)
Computational Investigation of Copper Phosphides as Conversion Anodes for Lithium-Ion Batteries
AF Harper, ML Evans, AJ Morris
Chemistry of Materials
(2020)
32
(doi: 10.1021/acs.chemmater.0c02054)
Ab initio Structure Prediction Methods for Battery Materials
AF Harper, ML Evans, JP Darby, B Karasulu, CP Koçer, JR Nelson, AJ Morris
Johnson Matthey Technology Review
(2020)
64
(doi: 10.1595/205651320x15742491027978)
Structure Prediction of Li-Sn and Li-Sb Intermetallics for Lithium-Ion Batteries Anodes (vol 29, pg 5787, 2017)
M Mayo, JP Darby, ML Evans, JR Nelson, AJ Morris
Chemistry of Materials
(2018)
30
(doi: 10.1021/acs.chemmater.8b02803)

Research Group

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me388@cam.ac.uk
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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