David J. Wales
- Global Optimization by Basin-Hopping and the Lowest Energy Structures of Lennard-Jones Clusters Containing up to 110 Atoms
1997/07/01 by David J. Wales, David Wales, Jonathan Doye +1 · 24 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Physics and Astronomy · #Advanced Chemical Physics Studies #Advanced Physical and Chemical Molecular Interactions #Protein Structure and Dynamics #cond-mat #physics.atm-clus
- Nested sampling for physical scientists
2022/05/26 by G. Ashton, Greg Ashton, Noam Bernstein +30 · 1 voice · 7 citations
Computer Science · Mathematics · Physics and Astronomy · #Cosmology and Gravitation Theories #Gaussian Processes and Bayesian Inference #Statistical Mechanics and Entropy #astro-ph.CO #astro-ph.IM #cond-mat.mtrl-sci #hep-ph #stat.CO
- Structural transitions and global minima of sodium chloride clusters
1998/01/31 by Jonathan P. K. Doye, Jonathan Doye, David Wales +1 · 1 citation
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Material Dynamics and Properties #cond-mat #nanoparticles nucleation surface interactions #physics.atm-clus
- Exact electronic states with shallow quantum circuits through global optimisation
2022/06/30 by Hugh G. A. Burton, Burton, Hugh G. A., Daniel Marti-Dafcik +5 · 1 citation
Computer Science · Physics and Astronomy · #Chemical Physics (physics.chem-ph) #FOS: Physical sciences #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Quantum Physics (quant-ph) #Quantum and electron transport phenomena
- Energy Landscapes for the Quantum Approximate Optimisation Algorithm
2024/01/09 by Choy Boy, David J. Wales, Choy, Boy +1 · 1 citation
Computer Science · #Quantum Computing Algorithms and Architecture #Quantum Information and Cryptography #Neural Networks and Reservoir Computing
- Thermodynamics and the global optimization of Lennard-Jones clusters
1998/06/01 by Jonathan P. K. Doye, Jonathan Doye, David Wales +3 · 5 citations
Biochemistry, Genetics and Molecular Biology · Chemistry · Materials Science · Physics and Astronomy · #Advanced Physical and Chemical Molecular Interactions #Chemical and Physical Properties of Materials #Protein Structure and Dynamics #cond-mat.stat-mech #physics.atm-clus
- The double-funnel energy landscape of the 38-atom Lennard-Jones cluster
1998/08/24 by Jonathan P. K. Doye, Jonathan Doye, Mark Miller +3 · 4 citations
Earth and Planetary Sciences · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Material Dynamics and Properties #cond-mat #nanoparticles nucleation surface interactions #physics.atm-clus
- Evolution of the potential energy surface with size for Lennard-Jones clusters
1999/03/19 by Jonathan P. K. Doye, Jonathan Doye, Mark Miller +3 · 3 citations
Materials Science · Mathematics · Physics and Astronomy · #Advanced Chemical Physics Studies #Mathematical Approximation and Integration #Quasicrystal Structures and Properties #cond-mat #physics.atm-clus
- The dynamics of structural transitions in sodium chloride clusters
1999/05/27 by Jonathan Doye, Jonathan P. K. Doye, David Wales +1 · 1 citation
Earth and Planetary Sciences · Environmental Science · Physics and Astronomy · #Coagulation and Flocculation Studies #Spectroscopy and Quantum Chemical Studies #cond-mat #nanoparticles nucleation surface interactions #physics.atm-clus