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Soft Matter|September 20, 2021
The energy landscapes of bidisperse particle assemblies on a sphereAlexander F Ballard, Jack R Panter, David J Wales
Proceedings of the National Academy of Sciences of the United States of America|August 27, 2020
Archetypal landscapes for deep neural networksPhilipp C Verpoort, Alpha A Lee, David J Wales
The Journal of Chemical Physics|July 13, 2005
Finding pathways between distant local minimaJoanne M Carr, Semen A Trygubenko, David J Wales
The Journal of Chemical Physics|August 13, 2005
An ab initio study of tunneling splittings in the water trimerMariko Takahashi, Yumiko Watanabe, Tetsuya Taketsugu, et al.
Physical Chemistry Chemical Physics : PCCP|September 27, 2013
Exploring energy landscapes: from molecular to mesoscopic systemsDwaipayan Chakrabarti, Halim Kusumaatmaja, Victor Rühle, et al.
The Journal of Physical Chemistry. C, Nanomaterials and Interfaces|January 20, 2023
Dynamic Diastereomerism on Chiral SurfacesSabine C Matysik, David J Wales, Stephen J Jenkins
Journal of Chemical Theory and Computation|November 5, 2016
Structure, Thermodynamics, and Folding Pathways for a Tryptophan Zipper as a Function of Local RigidificationJerelle A Joseph, Chris S Whittleston, David J Wales
Journal of Chemical Theory and Computation|January 17, 2025
Effect of Exact Exchange on the Energy Landscape in Self-Consistent Field TheoryYuthika Pillai, Hugh G A Burton, David J Wales
Journal of Chemical Theory and Computation|June 2, 2022
Evaluating Geometric Definitions of Stacking for RNA Dinucleoside Monophosphates Using Molecular Mechanics CalculationsAmirhossein Taghavi, Ivan Riveros, David J Wales, et al.
Physical Review Letters|May 7, 2021
Surface Chirality Influences Molecular Rotation upon DesorptionSabine C Matysik, David J Wales, Stephen J Jenkins
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