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The Journal of Physical Chemistry. A|July 13, 2006
Stacked clusters of polycyclic aromatic hydrocarbon moleculesM Rapacioli, F Calvo, F Spiegelman, et al.The Journal of Chemical Physics|April 10, 2015
Perspective: Insight into reaction coordinates and dynamics from the potential energy landscapeD J WalesScience (New York, N.Y.)|September 15, 2001
A microscopic basis for the global appearance of energy landscapesD J WalesThe Journal of Chemical Physics|August 24, 2014
Communication: optimal parameters for basin-hopping global optimization based on Tsallis statisticsC Shang, D J WalesPhysical Chemistry Chemical Physics : PCCP|May 14, 2015
Quasi-combinatorial energy landscapes for nanoalloy structure optimisationD Schebarchov, D J WalesThe Journal of Chemical Physics|February 9, 2022
Elucidating the solution structure of the K-means cost function using energy landscape theoryL Dicks, D J WalesThe Journal of Chemical Physics|July 28, 2020
Improving double-ended transition state searches for soft-matter systemsK Röder, D J WalesThe Journal of Physical Chemistry. B|October 18, 2022
Exploiting Sequence-Dependent Rotamer Information in Global Optimization of ProteinsL Dicks, D J WalesPhysical Review Letters|November 7, 2014
Structure prediction for multicomponent materials using biminimaD Schebarchov, D J WalesThe Journal of Chemical Physics|December 17, 2013
Communication: a new paradigm for structure prediction in multicomponent systemsD Schebarchov, D J WalesPageof 45