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
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)
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 xP yAnodes
Chemistry of Materials
(2022)
34
7460
optimade-python-tools: a Python library for serving and consuming materials data via OPTIMADE APIs
The Journal of Open Source Software
(2021)
6
3458
(doi: 10.21105/joss.03458)
Robust model benchmarking and bias-imbalance in data-driven materials science: A case study on MODNet
Journal of Physics Condensed Matter
(2021)
33
404002
(doi: 10.1088/1361-648X/ac1280)
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