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The Journal of Chemical Physics|December 31, 2020
Optimal dimensionality reduction of Markov chains using graph transformationDeepti Kannan, Daniel J Sharpe, Thomas D Swinburne, et al.The Journal of Chemical Physics|May 24, 2015
Exploring the potential energy landscape of the Thomson problem via Newton homotopiesDhagash Mehta, Tianran Chen, John W R Morgan, et al.Journal of Chemical Theory and Computation|June 10, 2024
Going for Gold(-Standard): Attaining Coupled Cluster Accuracy in Oxide-Supported NanoclustersBenjamin X Shi, David J Wales, Angelos Michaelides, et al.The Journal of Chemical Physics|November 18, 2011
Characterizing molecular motion in H2O and H3O+ with dynamical instability statisticsJason R Green, Thomas S Hofer, R Stephen Berry, et al.Physical Chemistry Chemical Physics : PCCP|March 13, 2009
Energy landscapes for shells assembled from pentagonal and hexagonal pyramidsSzilard N Fejer, Tim R James, Javier Hernández-Rojas, et al.The Journal of Chemical Physics|August 4, 2007
Equilibrium density of states and thermodynamic properties of a model glass formerFlorent Calvo, Tetyana V Bogdan, Vanessa K de Souza, et al.Physical Review Letters|July 23, 2016
Kinetic Transition Networks for the Thomson Problem and Smale's Seventh ProblemDhagash Mehta, Jianxu Chen, Danny Z Chen, et al.Journal of Chemical Theory and Computation|September 1, 2015
Analysis of the Contrasting Pathogenicities Induced by the D222G Mutation in 1918 and 2009 Pandemic Influenza A VirusesCheng Shang, Chris S Whittleston, Kyle H Sutherland-Cash, et al.Physical Review. E|December 23, 2022
Stochastic paths controlling speed and dissipationRebecca A Bone, Daniel J Sharpe, David J Wales, et al.Nature Communications|October 9, 2024
Design principles for energy transfer in the photosystem II supercomplex from kinetic transition networksShiun-Jr Yang, David J Wales, Esmae J Woods, et al.Pageof 25