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

datalab: Federated data management infrastructure for materials chemistry and beyond
ML Evans, JD Bocarsly, B Charmes, BE Smith, G-M Rignanese, D Waroquiers, CP Grey
(2026)
optimade-maker: Automated generation of interoperable materials APIs from static data
K Eimre, ML Evans, B Macaulay, X Wang, J Yu, N Marzari, G-M Rignanese, G Pizzi
(2026)
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
Mach Learn Sci Technol
(2025)
6
Datatractor: Metadata, automation, and registries for extractor interoperability in the chemical and materials sciences
ML Evans, G-M Rignanese, D Elbert, P Kraus
MRS Bulletin
(2025)
50
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
Chem Soc Rev
(2025)
54
Accelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening
V Trinquet, ML Evans, G-M Rignanese
(2025)
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 Discuss
(2025)
256
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
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 SzczypiƄski, S Torrisi, K Ueltzen, S Vishnoi, A Walsh, X Wang, C Wilson, R Wu, J Zeitler
Faraday discussions
(2025)
256
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

Research Group

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