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The Journal of Physical Chemistry. A|February 6, 2010
Potential energy surfaces fitted by artificial neural networksChris M Handley, Paul L A PopelierJournal of Chemical Theory and Computation|November 27, 2015
Dynamically Polarizable Water Potential Based on Multipole Moments Trained by Machine LearningChris M Handley, Paul L A PopelierJournal of Chemical Theory and Computation|December 2, 2015
Beyond Point Charges: Dynamic Polarization from Neural Net Predicted Multipole MomentsMichael G Darley, Chris M Handley, Paul L A PopelierPhysical Chemistry Chemical Physics : PCCP|October 8, 2009
Optimal construction of a fast and accurate polarisable water potential based on multipole moments trained by machine learningChris M Handley, Glenn I Hawe, Douglas B Kell, et al.Journal of Molecular Modeling|August 25, 2022
Non-covalent interactions from a Quantum Chemical Topology perspectivePaul L A PopelierThe Journal of Physical Chemistry. A|October 8, 2011
Fully analytical integration over the 3D volume bounded by the β sphere in topological atomsPaul L A PopelierJournal of Computational Chemistry|January 12, 2018
A fully analytical integration of properties over the 3D volume of the β sphere in topological atomsPaul L A PopelierThe Journal of Physical Chemistry. A|January 6, 2023
Linking the Interatomic Exchange-Correlation Energy to Experimental J-Coupling ConstantsIbon Alkorta, Paul L A PopelierThe Journal of Physical Chemistry. B|March 6, 2009
Prediction of interaction energies of substituted hydrogen-bonded Watson-Crick cytosine:guanine(8X) base pairsChunxia Xue, Paul L A PopelierJournal of the American Chemical Society|July 18, 2002
The elusive atomic rationale for DNA base pair stabilityPaul L A Popelier, Laurent JoubertPageof 15