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
Accelerating the discovery of high-performance nonlinear optical materials using active learning and high-throughput screening
Journal of Materials Chemistry C
(2025)
13
18197
(doi: 10.1039/d5tc01335f)
Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
(2024)
Datatractor: Metadata, automation, and registries for extractor interoperability in the chemical and materials sciences
(2024)
Optical materials discovery and design with federated databases and machine learning
(2024)
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
Digital discovery
(2024)
3
1509
(doi: 10.1039/d4dd00039k)
Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange
(2024)
Jobflow: Computational Workflows Made Simple
Journal of Open Source Software
(2024)
9
5995
(doi: 10.21105/joss.05995)
Machine Learning-Accelerated Discovery of A2BC2 Ternary Electrides with Diverse Anionic Electron Densities.
J Am Chem Soc
(2023)
145
26412
(doi: 10.1021/jacs.3c10538)
PASCal Python: A Principal Axis Strain Calculator
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 †
Digit Discov
(2023)
2
1233
(doi: 10.1039/d3dd00113j)
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