D-Index & Metrics Best Publications

D-Index & Metrics

Discipline name D-index D-index (Discipline H-index) only includes papers and citation values for an examined discipline in contrast to General H-index which accounts for publications across all disciplines. Citations Publications World Ranking National Ranking
Chemistry D-index 82 Citations 26,690 311 World Ranking 1279 National Ranking 75

Research.com Recognitions

Awards & Achievements

2016 - Fellow of the Royal Society, United Kingdom

2015 - Tilden Prize, Royal Society of Chemistry (UK)

1992 - Meldola Medal and Prize, Royal Society of Chemistry (UK)


What is he best known for?

The fields of study he is best known for:

  • Quantum mechanics
  • Molecule
  • Gene

His main research concerns Maxima and minima, Statistical physics, Potential energy surface, Potential energy and Computational chemistry. He interconnects Molecular physics, Energy, Transition state, Function and Stationary point in the investigation of issues within Maxima and minima. His Statistical physics research is multidisciplinary, relying on both Relaxation, Quantum mechanics, Superposition principle, Master equation and Lennard-Jones potential.

His Potential energy surface research is multidisciplinary, incorporating perspectives in Surface and Energy landscape, Thermodynamics. His Potential energy study combines topics from a wide range of disciplines, such as Transformation, Saddle point and Global optimization. His Computational chemistry research includes themes of Chemical physics, Frustration and Molecular biophysics.

His most cited work include:

  • Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms (2006 citations)
  • Theoretical studies of icosahedral C60 and some related species (1419 citations)
  • Global optimization of clusters, crystals, and biomolecules. (782 citations)

What are the main themes of his work throughout his whole career to date?

His primary areas of investigation include Maxima and minima, Statistical physics, Potential energy, Chemical physics and Energy landscape. His study focuses on the intersection of Maxima and minima and fields such as Potential energy surface with connections in the field of Thermodynamics. His research integrates issues of Superposition principle, Global optimization, Ergodicity, Kinetic energy and Lennard-Jones potential in his study of Statistical physics.

His biological study spans a wide range of topics, including Range, Icosahedral symmetry, Molecule and Computational chemistry, Density functional theory. His Energy landscape study combines topics in areas such as Folding, Nanotechnology, Protein folding and Molecular dynamics. His study looks at the relationship between Atomic physics and topics such as Cluster, which overlap with Molecular physics.

He most often published in these fields:

  • Maxima and minima (32.25%)
  • Statistical physics (23.85%)
  • Potential energy (20.61%)

What were the highlights of his more recent work (between 2014-2021)?

  • Energy landscape (16.60%)
  • Maxima and minima (32.25%)
  • Chemical physics (20.04%)

In recent papers he was focusing on the following fields of study:

David J. Wales mainly investigates Energy landscape, Maxima and minima, Chemical physics, Statistical physics and Molecular dynamics. His Energy landscape study deals with Protein folding intersecting with Protein structure. His research investigates the link between Maxima and minima and topics such as Cluster that cross with problems in Configuration space and Molecular physics.

David J. Wales works mostly in the field of Chemical physics, limiting it down to concerns involving Molecule and, occasionally, Crystallography and Computational chemistry. His work focuses on many connections between Statistical physics and other disciplines, such as Potential energy, that overlap with his field of interest in Potential energy surface. The various areas that David J. Wales examines in his Molecular dynamics study include Folding, Path integral molecular dynamics, Degenerate energy levels and Thermodynamics.

Between 2014 and 2021, his most popular works were:

  • Prediction of Sepsis in the Intensive Care Unit With Minimal Electronic Health Record Data: A Machine Learning Approach. (195 citations)
  • Concerted hydrogen-bond breaking by quantum tunneling in the water hexamer prism (138 citations)
  • Membrane Protein Structure, Function, and Dynamics: a Perspective from Experiments and Theory (82 citations)

In his most recent research, the most cited papers focused on:

  • Quantum mechanics
  • Molecule
  • Geometry

David J. Wales spends much of his time researching Energy landscape, Maxima and minima, Chemical physics, Statistical physics and Energy. His studies deal with areas such as Nanotechnology, Biophysics, Telomere, Dna genetics and A-DNA as well as Energy landscape. The Maxima and minima study combines topics in areas such as Degree, Cluster, Potential energy, Artificial intelligence and Machine learning.

His research on Potential energy also deals with topics like

  • Function together with Grand potential,
  • Global optimization and related Detailed balance. His Chemical physics study incorporates themes from Computational chemistry, Molecular dynamics, Molecule, Atomic physics and Hoogsteen base pair. His Statistical physics research is multidisciplinary, incorporating elements of Classical mechanics, Computation, Heat capacity and Curse of dimensionality.

This overview was generated by a machine learning system which analysed the scientist’s body of work. If you have any feedback, you can contact us here.

Best Publications

Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms

David J. Wales;Jonathan P. K. Doye.
Journal of Physical Chemistry A (1997)

2863 Citations

Theoretical studies of icosahedral C60 and some related species

A.J. Stone;D.J. Wales.
Chemical Physics Letters (1986)

2143 Citations

Energy Landscapes: Applications to Clusters, Biomolecules and Glasses

David Wales.

2061 Citations

Global optimization of clusters, crystals, and biomolecules.

David J. Wales;Harold A. Scheraga.
Science (1999)

1130 Citations

Introduction to cluster chemistry

D. M. P. Mingos;David J. Wales.

758 Citations

Archetypal energy landscapes

David J. Wales;Mark A. Miller;Tiffany R. Walsh.
Nature (1998)

534 Citations

Global minima of water clusters (H2O)n, n≤21, described by an empirical potential

David J Wales;Matthew P Hodges.
Chemical Physics Letters (1998)

464 Citations

The effect of the range of the potential on the structures of clusters

Jonathan P. K. Doye;David J. Wales;R. Stephen Berry.
Journal of Chemical Physics (1995)

454 Citations

Global minima for transition metal clusters described by Sutton–Chen potentials

Jonathan P. K. Doye;David J. Wales.
New Journal of Chemistry (1998)

450 Citations

Defect migration in crystalline silicon

Lindsey J. Munro;David J. Wales.
Physical Review B (1999)

421 Citations

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