Structure, thermodynamics, and rearrangement mechanisms in gold clusters-insights from the energy landscapes framework von Schebarchov, D, Baletto, F, Wales, D J

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Quasi-combinatorial energy landscapes for nanoalloy structure optimisation von Schebarchov, D, Wales, D. J

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Grand and Semigrand Canonical Basin-Hopping von Calvo, F, Schebarchov, D, Wales, D. J

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Structure prediction for multicomponent materials using biminima von Schebarchov, D, Wales, D J

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Dynamics and thermodynamics of the coronene octamer described by coarse-grained potentials von Hernández-Rojas, J, Calvo, F, Niblett, S, Wales, D. J

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Perspective: Insight into reaction coordinates and dynamics from the potential energy landscape von Wales, D J

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Stacked Clusters of Polycyclic Aromatic Hydrocarbon Molecules von Rapacioli, M, Calvo, F, Spiegelman, F, Joblin, C, Wales, D. J

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Dynamics of a molecular glass former: Energy landscapes for diffusion in ortho-terphenyl von Niblett, S. P., de Souza, V. K., Stevenson, J. D., Wales, D. J.

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Effects of random pinning on the potential energy landscape of a supercooled liquid von Niblett, S. P., de Souza, V. K., Jack, R. L., Wales, D. J.

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Tunneling Splittings in Water Clusters from Path Integral Molecular Dynamics von Vaillant, C. L, Wales, D. J, Althorpe, S. C

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Morphological analysis of chiral rod clusters from a coarse-grained single-site chiral potential von Sutherland, B. J, Olesen, S. W, Kusumaatmaja, H, Morgan, J. W. R, Wales, D. J

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Elucidating the solution structure of the K-means cost function using energy landscape theory von Dicks, L., Wales, D. J.

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Exploiting Sequence-Dependent Rotamer Information in Global Optimization of Proteins von Dicks, L., Wales, D. J.

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A Microscopic Basis for the Global Appearance of Energy Landscapes von Wales, David J.

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Dynamical properties of two- and three-dimensional colloidal clusters of six particles von Fa kovec, B, Morgan, J. W. R, Wales, D. J

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Interplay between charge and vibrational delocalization in cationic helium clusters von Calvo, F., Naumkin, F. Y., Wales, D. J.

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Tunneling splittings from path-integral molecular dynamics using a Langevin thermostat von Vaillant, C. L., Wales, D. J., Althorpe, S. C.

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Improving double-ended transition state searches for soft-matter systems von Röder, K., Wales, D. J.

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Communication: a new paradigm for structure prediction in multicomponent systems von Schebarchov, D, Wales, D J

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Coarse-graining the structure of polycyclic aromatic hydrocarbons clusters von Hernández-Rojas, J, Calvo, F, Wales, D J

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