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

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
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
Chemical Society reviews
(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 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
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 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
Accelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening
V Trinquet, ML Evans, G-M Rignanese
Journal of Materials Chemistry C
(2025)
13
Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
Y Zimmermann, A Bazgir, Z Afzal, F Agbere, Q Ai, N Alampara, A Al-Feghali, M Ansari, D Antypov, A Aswad, J Bai, V Baibakova, DD Biswajeet, E Bitzek, JD Bocarsly, A Borisova, AM Bran, LC Brinson, MM Calderon, A Canalicchio, V Chen, Y Chiang, D Circi, B Charmes, V Chaudhary, Z Chen, M-H Chiu, J Clymo, K Dabhadkar, N Daelman, A Datar, WAD Jong, ML Evans, MG Fard, G Fisicaro, AS Gangan, J George, JDC Gonzalez, M Götte, AK Gupta, H Harb, P Hong, A Ibrahim, A Ilyas, A Imran, K Ishimwe, R Issa, KM Jablonka, C Jones, TR Josephson, G Juhasz, S Kapoor, R Kang, G Khalighinejad, S Khan, S Klawohn, S Kuman, AN Ladines, S Leang, M Lederbauer, Sheng-Lun, Liao, H Liu, X Liu, S Lo, S Madireddy, PR Maharana, S Maheshwari, S Mahjoubi, JA Márquez, R Mills, T Mohanty, B Mohr, SM Moosavi, A Moßhammer, AD Naghdi, A Naik, O Narykov, H Näsström, XV Nguyen, X Ni, D O'Connor, T Olayiwola, F Ottomano, AB Ozhan, S Pagel, C Parida, J Park, V Patel, E Patyukova, MH Petersen, L Pinto, JM Pizarro, D Plessers, T Pradhan, U Pratiush, C Puli, A Qin, M Rajabi, F Ricci, E Risch, M Ríos-García, A Roy, T Rug, HM Sayeed, M Scheidgen, M Schilling-Wilhelmi, M Schloz, F Schöppach, J Schumann, P Schwaller, M Schwarting, S Sharlin, K Shen, J Shi, P Si, J D'Souza, T Sparks, S Sudhakar, L Talirz, D Tang, O Taran, C Terboven, M Tropin, A Tsymbal, K Ueltzen, PA Unzueta, A Vasan, T Vinchurkar, T Vo, G Vogel, C Völker, J Weinreich, F Yang, M Zaki, C Zhang, S Zhang, W Zhang, R Zhu, S Zhu, J Janssen, C Li, I Foster, B Blaiszik
(2024)

Research Group

Email address