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Journal of Chemical Theory and Computation|May 25, 2018
Energy Landscapes of Mini-Dumbbell DNA OctanucleotidesJames S Klimavicz, Konstantin Röder, David J WalesJournal of Chemical Theory and Computation|August 26, 2017
Optimal Alignment of Structures for Finite and Periodic SystemsMatthew Griffiths, Samuel P Niblett, David J WalesJournal of Chemical Theory and Computation|February 16, 2025
Energy Landscapes for the Unitary Coupled Cluster AnsatzChoy Boy, Maria-Andreea Filip, David J WalesThe Journal of Physical Chemistry. B|July 26, 2024
Vibrational Energy Landscapes and Energy Flow in GPCRsHumanath Poudel, David J Wales, David M LeitnerThe Journal of Physical Chemistry. B|August 27, 2011
Energy landscape and global optimization for a frustrated model proteinMark T Oakley, David J Wales, Roy L JohnstonNanoscale|October 8, 2011
Energy landscapes of colloidal clusters: thermodynamics and rearrangement mechanismsFlorent Calvo, Jonathan P K Doye, David J WalesJournal of Chemical Theory and Computation|November 24, 2015
Exploring Energy Landscapes: Metrics, Pathways, and Normal-Mode Analysis for Rigid-Body MoleculesVictor Rühle, Halim Kusumaatmaja, Dwaipayan Chakrabarti, et al.The Journal of Chemical Physics|August 8, 2023
Exploring energy landscapes for solid-state systems with variable cells at the extended tight-binding levelPhilipp Pracht, John W R Morgan, David J WalesPhysical Chemistry Chemical Physics : PCCP|May 14, 2026
Comparison of predictive approaches to the dynamics of activated catalytic processesGiorgio Conter, Thantip Roongcharoen, David J Wales, et al.Journal of Chemical Theory and Computation|December 15, 2018
Path Integral Energy Landscapes for Water ClustersChristophe L Vaillant, Stuart C Althorpe, David J WalesPageof 26