Nathanael J King

3PUBLICATIONS
5CO-AUTHORS
Radiation and matterTheoretical quantum chemistryStatistical mechanics in chemistry
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Publications (3)

|Nov 12, 2025
cQTP25: A new exchange-correlation functional for core-electron ionization energy.

Rodrigo A Mendes, Nathanael J King, Alex Brown

|Sep 17, 2025
An efficient workflow for generation of conformational ensembles of density functional theory quality: dimers of polycyclic (hetero-)aromatics.

Jessica J Ortlieb, Nathanael J King, Alex Brown

|Jun 30, 2024
A variant on the CREST iMTD algorithm for noncovalent clusters of flexible molecules.

Nathanael J King, Ian D LeBlanc, Alex Brown

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Frequent Collaborators

3 joint publications

Alex Brown

1 joint publications

Jessica J Ortlieb

1 joint publications

Rodrigo A Mendes

1 joint publications

Rodney J Bartlett