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The Journal of Chemical Physics|February 9, 2022
Elucidating the solution structure of the K-means cost function using energy landscape theoryL Dicks, D J WalesThe Journal of Chemical Physics|July 28, 2020
Improving double-ended transition state searches for soft-matter systemsK Röder, D J WalesThe Journal of Chemical Physics|April 25, 2008
Relaxation of caloric curves on complex potential energy surfacesF Calvo, D J WalesThe Journal of Physical Chemistry. B|October 18, 2022
Exploiting Sequence-Dependent Rotamer Information in Global Optimization of ProteinsL Dicks, D J WalesPhysical Review Letters|November 7, 2014
Structure prediction for multicomponent materials using biminimaD Schebarchov, D J WalesThe Journal of Chemical Physics|December 17, 2013
Communication: a new paradigm for structure prediction in multicomponent systemsD Schebarchov, D J WalesScience (New York, N.Y.)|August 28, 1999
Global optimization of clusters, crystals, and biomoleculesD J Wales, H A ScheragaPhysical Review. E, Statistical, Nonlinear, and Soft Matter Physics|October 4, 2005
Finite-size effects in the dynamics and thermodynamics of two-dimensional Coulomb clustersE Yurtsever, F Calvo, D J WalesNanoscale|January 11, 2018
Structure, thermodynamics, and rearrangement mechanisms in gold clusters-insights from the energy landscapes frameworkD Schebarchov, F Baletto, D J WalesThe Journal of Chemical Physics|January 21, 2012
Energy landscapes of ion clusters in isotropic quadrupolar and octupolar trapsF Calvo, E Yurtsever, D J WalesPageof 5