Inverting g(r) to u(r): The test-particle insertion method

Clare R. Rees-Zimmerman, Angus Heafield, Daniel Ellerbeck, Adam Edward Stones, Roel P.A. Dullens, Dirk G.A.L. Aarts

Research output: Contribution to journalArticlepeer-review

Original languageEnglish
Article number100156
JournalJCIS Open
Volume20
Early online date25 Sept 2025
DOIs
Publication statusPublished - 31 Dec 2025
Externally publishedYes

Data Availability Statement

Data available on request from the authors. The authors have made the example TPI Python code available at https://github.com/creeszimmerman/TPI and encourage its use, with citation of this work.

Acknowledgements

The authors would like to thank Hugo Fung and Shivani Abensour (both formerly at the Department of Chemistry, University of Oxford) for imaging MF particles.

Funding

C.R.R.Z.’s work is funded by a Junior Research Fellowship from Christ Church, University of Oxford, UK. A.E.S. gratefully acknowledges financial support from the University of Oxford Clarendon Fund, UK.

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