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Publications by David J. Wales

Superposition Enhanced Nested Sampling

Physical Review X

English

Decoupled Associative and Dissociative Processes in Strong Yet Highly Dynamic Host–Guest Complexes

Journal of the American Chemical Society

Surface Chemistry

English

Defect Motifs for Constant Mean Curvature Surfaces

Physical Review Letters

English

Energy Landscape and Pathways for Transitions Between Watson-Crick and Hoogsteen Base Pairing in DNA

Journal of Physical Chemistry Letters

Materials Science

Theoretical Chemistry

English

The Energy Landscape, Folding Pathways and the Kinetics of a Knotted Protein

PLoS Computational Biology

Molecular Neuroscience

Molecular Biology

Computational Theory

English

A Local Rigid Body Framework for Global Optimization of Biomolecules

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Decoding the Energy Landscape: Extracting Structure, Dynamics and Thermodynamics

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

English

Exploring the Potential Energy Landscape of the Thomson Problem via Newton Homotopies

Journal of Chemical Physics

Theoretical Chemistry

English

Design of a Kagome Lattice From Soft Anisotropic Particles

Condensed Matter Physics

English

A Kinetic Approach to the Sequence–Aggregation Relationship in Disease-Related Protein Assembly

Journal of Physical Chemistry B

Theoretical Chemistry

Materials Chemistry

English