Professor
Publications
Symmetry Breaking in the Superionic Phase of Silver Iodide.
Physical Review Letters
(2025)
134
026306
The design space of E(3)-equivariant atom-centred interatomic potentials.
Nature machine intelligence
(2025)
7
56
(doi: 10.1038/s42256-024-00956-x)
Data-efficient fine-tuning of foundational models for first-principles quality sublimation enthalpies
Faraday discussions
(2025)
256
120
(doi: 10.1039/d4fd00107a)
<sup>17</sup>O NMR Spectroscopy Reveals CO<sub>2</sub> Speciation and Dynamics in Hydroxide-Based Carbon Capture Materials.
Chemphyschem : a European journal of chemical physics and physical chemistry
(2024)
26
e202400941
(doi: 10.1002/cphc.202400941)
Efficient Composite Infrared Spectroscopy: Combining the Double-Harmonic Approximation with Machine Learning Potentials
J Chem Theory Comput
(2024)
20
10986
(doi: 10.1021/acs.jctc.4c01157)
Graph neural networks for strut-based architected solids
Journal of the Mechanics and Physics of Solids
(2024)
195
105966
(doi: 10.1016/j.jmps.2024.105966)
Random Spin Committee Approach For Smooth Interatomic Potentials
(2024)
(doi: 10.48550/arxiv.2410.16252)
Setting standards for data driven materials science
Npj Computational Materials
(2024)
10
231
(doi: 10.1038/s41524-024-01411-6)
Accurate Crystal Structure Prediction of New 2D Hybrid Organic-Inorganic Perovskites
J Am Chem Soc
(2024)
146
27392
(doi: 10.1021/jacs.4c06549)
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