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Yusuf Hamied Department of Chemistry

 

Dr Matthew Evans

Research Fellow

Publications

32 examples of LLM applications in materials science and chemistry: towards automation, assistants, agents, and accelerated scientific discovery
Y Zimmermann, A Bazgir, A Al-Feghali, M Ansari, J Bocarsly, LC Brinson, Y Chiang, D Circi, M-H Chiu, N Daelman, ML Evans, AS Gangan, J George, H Harb, G Khalighinejad, S Takrim Khan, S Klawohn, M Lederbauer, S Mahjoubi, B Mohr, S Mohamad Moosavi, A Naik, A Beste Ozhan, D Plessers, A Roy, F Schöppach, P Schwaller, C Terboven, K Ueltzen, Y Wu, S Zhu, J Janssen, C Li, I Foster, B Blaiszik
– Machine Learning: Science and Technology
(2025)
6,
030701
(doi: 10.1088/2632-2153/ae011a)
Datatractor: Metadata, automation, and registries for extractor interoperability in the chemical and materials sciences
ML Evans, GM Rignanese, D Elbert, P Kraus
– MRS Bulletin
(2025)
50,
838
(doi: 10.1557/s43577-025-00925-8)
Cross-disciplinary perspectives on the potential for artificial intelligence across chemistry
AM Mroz, AR Basford, F Hastedt, IS Jayasekera, I Mosquera-Lois, R Sedgwick, PJ Ballester, JD Bocarsly, E Antonio Del Río Chanona, ML Evans, JM Frost, AM Ganose, RL Greenaway, K Kuok Mimi Hii, Y Li, R Misener, A Walsh, D Zhang, KE Jelfs
– Chemical Society reviews
(2025)
54,
5433
(doi: 10.1039/d5cs00146c)
Discovering structure-property correlations: general discussion
AS Anker, A Aspuru-Guzik, C Ben Mahmoud, S Bennett, KR Briling, A Changiarath, S Chong, CM Collins, AI Cooper, D Crusius, KK Darmawan, B Das, N David, GM Day, VL Deringer, F Duarte, A Eardley-Brunt, ML Evans, R Evans, I Fairlamb, BA Franklin, J Frey, AM Ganose, M Goulding, R Hafizi, M Hakkennes, N Hickey, G James, KE Jelfs, AV Kalikadien, V Kapil, Z Koczor-Benda, F Krammer, HJ Kulik, V Kumar, C Kuttner, E Lam, Y Lou, E Mante, J Martin, AM Mroz, T Nematiaram, CWP Pare, S Patra, J Proudfoot, B Ruscic, MR Ryder, K Sakaushi, J Saßmannshausen, BM Savoie, N Schneider, P Schwaller, BB Skjelstad, W Sun, FT Szczypiński, S Torrisi, K Ueltzen, S Vishnoi, A Walsh, X Wang, C Wilson, R Wu, J Zeitler
– Faraday discussions
(2025)
256,
373
(doi: 10.1039/d4fd90062f)
Optical materials discovery and design with federated databases and machine learning
V Trinquet, ML Evans, CJ Hargreaves, P-P De Breuck, G-M Rignanese
– Faraday discussions
(2025)
256,
459
(doi: 10.1039/d4fd00092g)
Discovering synthesis targets: general discussion
AS Anker, A Aspuru-Guzik, T Bechtel, F Bigi, KR Briling, B Das, N David, GM Day, VL Deringer, M Dyer, A Eardley-Brunt, ML Evans, R Evans, BA Franklin, AM Ganose, J George, M Goulding, N Hickey, G James, AV Kalikadien, V Kapil, HJ Kulik, V Kumar, C Kuttner, E Lam, M Lederbauer, Y Lou, J Martin, A Marulanda Bran, M Mathea, CJ Pickard, B Ruscic, MR Ryder, V Sabanza Gil, P Schwaller, MHS Segler, W Sun, S Tanovic, W Treyde, A Walsh, R Wu
– Faraday discussions
(2025)
256,
639
(doi: 10.1039/d4fd90064b)
Discovering trends in big data: general discussion.
RV Albornoz, D Antypov, G Blanke, I Borges, A Marulanda Bran, J Cheung, CM Collins, N David, GM Day, VL Deringer, C Draxl, A Eardley-Brunt, ML Evans, I Fairlamb, K Fieseler, BA Franklin, J George, J Grundy, J Johal, AV Kalikadien, V Kapil, L Kotopanov, V Kumar, C Kuttner, M Lederbauer, AC Ojeda-Porras, J Pang, M Parkes, M Pemberton, B Ruscic, MR Ryder, K Sakaushi, G Saleh, BM Savoie, P Schwaller, BB Skjelstad, W Sun, T Taniguchi, CR Taylor, S Torrisi, S Vishnoi, A Walsh, R Wu
– Faraday discussions
(2025)
256,
520
(doi: 10.1039/d4fd90063d)
Accelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening
V Trinquet, ML Evans, GM Rignanese
– Journal of Materials Chemistry C
(2025)
13,
18197
(doi: 10.1039/d5tc01335f)
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
ML Evans, J Bergsma, A Merkys, CW Andersen, OB Andersson, D Beltrán, E Blokhin, TM Boland, R Castañeda Balderas, K Choudhary, A Díaz Díaz, R Domínguez García, H Eckert, K Eimre, ME Fuentes Montero, AM Krajewski, JJ Mortensen, JM Nápoles Duarte, J Pietryga, J Qi, FDJ Trejo Carrillo, A Vaitkus, J Yu, A Zettel, PB de Castro, J Carlsson, TFT Cerqueira, S Divilov, H Hajiyani, F Hanke, K Jose, C Oses, J Riebesell, J Schmidt, D Winston, C Xie, X Yang, S Bonella, S Botti, S Curtarolo, C Draxl, LE Fuentes Cobas, A Hospital, Z-K Liu, MAL Marques, N Marzari, AJ Morris, SP Ong, M Orozco, KA Persson, KS Thygesen, C Wolverton, M Scheidgen, C Toher, GJ Conduit, G Pizzi, S Gražulis, G-M Rignanese, R Armiento
– Digital Discovery
(2024)
3,
1509
(doi: 10.1039/d4dd00039k)
Jobflow: Computational Workflows Made Simple
AS Rosen, M Gallant, J George, J Riebesell, H Sahasrabuddhe, J-X Shen, M Wen, ML Evans, G Petretto, D Waroquiers, G-M Rignanese, KA Persson, A Jain, AM Ganose
– The Journal of Open Source Software
(2024)
9,
5995
(doi: 10.21105/joss.05995)
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Research Group

Email address

me388@cam.ac.uk

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