David J Wales Publications (recent)
- Designing a Bernal Spiral from Patchy Colloids.
- Morgan JW, Chakrabarti D, Dorsaz N, Wales DJ
- ACS Nano 2013, -. DOI: 10.1021/nn304677t
- Investigation of Terahertz Vibration-Rotation Tunneling Spectra for the Water Octamer.
- Richardson JO, Wales DJ, Althorpe SC, McLaughlin RP, Viant MR, Shih O, Saykally RJ
- J Phys Chem A 2013, -. DOI: 10.1021/jp311306a
- Energy landscapes, structural topologies and rearrangement mechanisms in clusters of dipolar particles
- James D Farrell, Christabel Lines, James J Shepherd, Dwaipayan Chakrabarti, Mark A Miller, David J Wales
- Soft_Matter DOI: 10.1039/C3SM50711D
- Symmetrisation schemes for global optimisation of atomic clusters
- Oakley MT, Johnston RL, Wales DJ
- 2013, 3965-3976. DOI: 10.1039/C3CP44332A
- Mode-specificity and transition state-specific energy redistribution in the chemisorption of CH4 on Ni{100}.
- Sacchi M, Wales DJ, Jenkins SJ
- Phys Chem Chem Phys 2012, 14, 15879-15887. DOI: 10.1039/C2CP42345F
- Quasi-Continuous Interpolation Scheme for Pathways between Distant Configurations
- Wales DJ, Carr JM
- JOURNAL OF CHEMICAL THEORY AND COMPUTATION 2012, 8, 5020-5034. DOI: 10.1021/ct3004832
- Symmetrization of the AMBER and CHARMM force fields (vol 31, pg 1402, 2010)
- Malolepsza E, Strodel B, Khalili M, Trygubenko S, Fejer S, Carr JM, Wales DJ
- JOURNAL OF COMPUTATIONAL CHEMISTRY 2012, 33, 2209-2209. DOI: 10.1002/jcc.23064
- Evolution of the potential energy landscape with static pulling force for two model proteins.
- Wales DJ, Head-Gordon T
- J Phys Chem B 2012, 8394-8411. DOI: 10.1021/jp211806z
- Decoding the energy landscape: extracting structure, dynamics and thermodynamics.
- Wales DJ
- Philos Transact A Math Phys Eng Sci 2012, 370, 2877-2899. DOI: 10.1098/rsta.2011.0208
- Energy landscapes of ion clusters in isotropic quadrupolar and octupolar traps.
- Calvo F, Yurtsever E, Wales DJ
- J Chem Phys 2012, 136, 024303 -. DOI: 10.1063/1.3673318
- Morgan JW, Chakrabarti D, Dorsaz N, Wales DJ