David J Wales

84PUBLICATIONS
121CO-AUTHORS
Chemical thermodynamics and energeticsEvolutionary impacts of climate changeChemical and thermal processes in energy and combustionTheory and design of materialsAtomic and molecular physics
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Publications (84)

|Aug 13, 2026
Quantum Enhancement of Microcanonical Negative Heat Capacity Features in the Melting of Water Clusters.

|Aug 06, 2026
Evolution of the energy landscape for n-alkanes: n-C14H30 to n-C20H42.

|May 20, 2026
Accelerated Reaction Exploration across Scales: A Hybrid Operando and Modeling Study of Oxidation Kinetics in Monolayer Tungsten Disulfide.

|May 14, 2026
Comparison of predictive approaches to the dynamics of activated catalytic processes.

|May 04, 2026
Comparison of Protein-Glycosaminoglycan Interactions in ff14sb/GLYCAM06j-1 and CHARMM36m Force Fields.

|Mar 12, 2026
Energy Landscape Analysis of Membrane Proteins Using NMR-Based Hybrid Restraint Potentials.

Diksha Dewan, Yifei Wang, Alfonso De Simone

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Frequent Collaborators

10 joint publications

Konstantin Röder

7 joint publications

Debayan Chakraborty

5 joint publications

Philipp Pracht

5 joint publications

John W R Morgan