Lily M. Hunnisett

Cambridge Crystallographic Data Centre — United Kingdom

Materials Science · Physical Sciences

4h-index137citations11works18.42yr avg
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Research Topics

X-ray Diffraction in Crystallography(5), Crystallography and molecular interactions(3), Enzyme Structure and Function(2), Crystallization and Solubility Studies(2), Machine Learning in Materials Science(2)

Publications11 total

A benchmark study of force fields implemented in CSD software
Structural Chemistry·2026Open Access
The 7th Blind Test of CSP Methods: Triumphs, Challenges and Insights
Structural Dynamics·2025Open Access
The seventh blind test of crystal structure prediction: structure ranking methods
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2024· 59 citedOpen Access
An integrated approach combining experimental, informatics and energetic methods for solid form derisking of PF-06282999
Journal of Pharmaceutical Sciences·2024· 5 cited
The seventh blind test of crystal structure prediction: structure generation methods
Acta Crystallographica Section B Structural Science Crystal Engineering and Materials·2024· 65 citedOpen Access
Comparison of crystal structure similarity algorithms and analysis of large sets of theoretically predicted structures
Acta Crystallographica Section A Foundations and Advances·2024Open Access
A seventh blind test of crystal structure prediction methods
Acta Crystallographica Section A Foundations and Advances·2024
A seventh blind test of crystal structure prediction methods
Acta Crystallographica Section A Foundations and Advances·2023· 1 citedOpen Access
Efficient crystal packing similarity algorithms for large sets of theoretically predicted structures
Acta Crystallographica Section A Foundations and Advances·2023
What have we learned from the 7th Blind Test of Crystal Structure Prediction? Triumphs, challenges and insights
Acta Crystallographica Section A Foundations and Advances·2022· 3 citedOpen Access
Mechanistic insight into the fluorescence activity of forensic fingerprinting reagents
The Journal of Chemical Physics·2021· 4 citedOpen Access

Frequent Co-authors

Nicholas Francia(7), Jonas Nyman(6), G. Sadiq(6), Isaac J. Sugden(4), Rajni M. Bhardwaj(3), Paul F. Kelly(3), Jason C. Cole(3), Susan M. Reutzel‐Edens(3), Nathan S. Abraham(2), Srinivasulu Aitipamula(2), Tamador Alkhidir(2), Mubarak Almehairbi(2), Andrea Anelli(2), Dylan M. Anstine(2), Joseph E. Arnold(2), Faezeh Bahrami(2), Michael A. Bellucci(2), J.A. Bis(2), A. Daniel Boese(2), James Bramley(2)