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Physical Chemistry Chemical Physics : PCCP|February 8, 2013
Symmetrisation schemes for global optimisation of atomic clustersMark T Oakley, Roy L Johnston, David J WalesThe Journal of Chemical Physics|October 7, 2011
Instanton calculations of tunneling splittings for water dimer and trimerJeremy O Richardson, Stuart C Althorpe, David J WalesThe Journal of Chemical Physics|June 17, 2008
Protein structure prediction using basin-hoppingMichael C Prentiss, David J Wales, Peter G WolynesPlos Computational Biology|July 10, 2010
The energy landscape, folding pathways and the kinetics of a knotted proteinMichael C Prentiss, David J Wales, Peter G WolynesBiochimica Et Biophysica Acta|September 21, 2010
Modelling proteins: conformational sampling and reconstruction of folding kineticsKonstantin Klenin, Birgit Strodel, David J Wales, et al.Physical Chemistry Chemical Physics : PCCP|September 14, 2017
Properties of kinetic transition networks for atomic clusters and glassy solidsJohn W R Morgan, Dhagash Mehta, David J WalesJournal of Chemical Theory and Computation|December 14, 2016
GPU-Accelerated Exploration of Biomolecular Energy LandscapesRosemary G Mantell, Catherine E Pitt, David J WalesThe Journal of Chemical Physics|December 11, 2013
Potential energy landscapes for the 2D XY model: minima, transition states, and pathwaysDhagash Mehta, Ciaran Hughes, Mario Schröck, et al.The Journal of Chemical Physics|September 12, 2023
Global analysis of energy landscapes for materials modeling: A test case for C60Gábor Csányi, John W R Morgan, David J WalesPhysical Chemistry Chemical Physics : PCCP|October 29, 2011
A survey of the potential energy surface for the (benzene)13 clusterDwaipayan Chakrabarti, Tim S Totton, Markus Kraft, et al.Pageof 26