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Journal of Chemical Theory and Computation|December 17, 2015
Grand and Semigrand Canonical Basin-HoppingF Calvo, D Schebarchov, D J WalesThe Journal of Physical Chemistry Letters|October 19, 2017
Structure and Thermodynamics of Metal Clusters on Atomically Smooth SubstratesM Eckhoff, D Schebarchov, D J WalesThe Journal of Chemical Physics|August 3, 2015
Markov state modeling and dynamical coarse-graining via discrete relaxation path samplingB Fačkovec, E Vanden-Eijnden, D J WalesThe Journal of Chemical Physics|October 7, 2011
Interplay between charge and vibrational delocalization in cationic helium clustersF Calvo, F Y Naumkin, D J WalesNanoscale|November 4, 2016
Impurity effects on solid-solid transitions in atomic clustersB E Husic, D Schebarchov, D J WalesPhysical Chemistry Chemical Physics : PCCP|April 9, 2016
Coarse-graining the structure of polycyclic aromatic hydrocarbons clustersJ Hernández-Rojas, F Calvo, D J WalesPhysical Chemistry Chemical Physics : PCCP|October 11, 2016
Self-assembly of colloidal magnetic particles: energy landscapes and structural transitionsJ Hernández-Rojas, D Chakrabarti, D J WalesPhysical Chemistry Chemical Physics : PCCP|April 22, 2016
Dynamical properties of two- and three-dimensional colloidal clusters of six particlesB Fačkovec, J W R Morgan, D J WalesThe Journal of Physical Chemistry. B|September 24, 2025
Benchmark of Available Explicit Solvent Models in CHARMM36m to Characterize GlycosaminoglycansP A Wesołowski, D J Wales, K K BojarskiThe Journal of Chemical Physics|June 25, 2018
Tunneling splittings from path-integral molecular dynamics using a Langevin thermostatC L Vaillant, D J Wales, S C AlthorpePageof 5