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
14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon
Digital discovery
(2023)
2
1233
(doi: 10.1039/d3dd00113j)
14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon
(2023)
Phase Transformations and Phase Segregation during Potassiation of Sn x P y Anodes.
Chemistry of materials : a publication of the American Chemical Society
(2022)
34
7460
optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
Journal of Open Source Software
(2021)
6
3458
(doi: 10.21105/joss.03458)
OPTIMADE, an API for exchanging materials data.
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.
Journal of physics. Condensed matter : an Institute of Physics journal
(2021)
33
404002
(doi: 10.1088/1361-648x/ac1280)
matador: a Python library for analysing, curating and performing high-throughput density-functional theory calculations
Journal of Open Source Software
(2020)
5
2563
(doi: 10.21105/joss.02563)
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