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Yusuf Hamied Department of Chemistry

 

Dr Matthew Evans

Research Fellow

Publications

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, G-M Rignanese, J Wang
– J Am Chem Soc
(2023)
145,
26412
(doi: 10.1021/jacs.3c10538)
PASCal Python: A Principal Axis Strain Calculator
M Lertkiattrakul, ML Evans, MJ Cliffe
– Journal of Open Source Software
(2023)
8,
5556
(doi: 10.21105/joss.05556)
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, S Bringuier, LC Brinson, K Choudhary, D Circi, S Cox, WA de Jong, ML Evans, N Gastellu, J Genzling, MV Gil, AK Gupta, Z Hong, A Imran, S Kruschwitz, A Labarre, J Lála, T Liu, S Ma, S Majumdar, GW Merz, N Moitessier, E Moubarak, B Mouriño, B Pelkie, M Pieler, MC Ramos, B Ranković, SG Rodriques, JN Sanders, P Schwaller, M Schwarting, J Shi, B Smit, BE Smith, J Van Herck, C Völker, L Ward, S Warren, B Weiser, S Zhang, X Zhang, GA Zia, A Scourtas, KJ Schmidt, I Foster, AD White, B Blaiszik
– Digital Discovery
(2023)
2,
1233
(doi: 10.1039/d3dd00113j)
Crystal structure prediction for rechargeable battery anodes
ML Evans
(2023)
(doi: 10.17863/CAM.104811)
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, S Bringuier, LC Brinson, K Choudhary, D Circi, S Cox, WAD Jong, ML Evans, N Gastellu, J Genzling, MV Gil, AK Gupta, Z Hong, A Imran, S Kruschwitz, A Labarre, J Lála, T Liu, S Ma, S Majumdar, GW Merz, N Moitessier, E Moubarak, B Mouriño, B Pelkie, M Pieler, MC Ramos, B Ranković, SG Rodriques, JN Sanders, P Schwaller, M Schwarting, J Shi, B Smit, BE Smith, JV Herck, C Völker, L Ward, S Warren, B Weiser, S Zhang, X Zhang, GA Zia, A Scourtas, KJ Schmidt, I Foster, AD White, B Blaiszik
(2023)
(link to publication)
Phase Transformations and Phase Segregation during Potassiation of Sn x P y Anodes.
AW Ells, ML Evans, MF Groh, AJ Morris, LE Marbella
– Chemistry of Materials
(2022)
34,
7460
(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
– Journal of Open Source Software
(2021)
6,
3458
(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,
217
(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,
404002
(doi: 10.1088/1361-648x/ac1280)
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: 10.17863/CAM.59903)
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Research Group

Email address

me388@cam.ac.uk

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