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The Journal of Chemical Physics|June 9, 2014
Molecular dynamics saddle search adaptive kinetic Monte CarloSamuel T Chill, Graeme HenkelmanThe Journal of Chemical Physics|November 9, 2015
Distributed replica dynamicsLiang Zhang, Samuel T Chill, Graeme HenkelmanThe Journal of Chemical Physics|July 12, 2012
Database of atomistic reaction mechanisms with application to kinetic Monte CarloRye Terrell, Matthew Welborn, Samuel T Chill, et al.Accounts of Chemical Research|May 5, 2015
A theoretical and experimental approach for correlating nanoparticle structure and electrocatalytic activityRachel M Anderson, David F Yancey, Liang Zhang, et al.ACS Nano|April 9, 2015
Probing the Limits of Conventional Extended X-ray Absorption Fine Structure Analysis Using Thiolated Gold NanoparticlesSamuel T Chill, Rachel M Anderson, David F Yancey, et al.Journal of Chemical Theory and Computation|November 20, 2015
Benchmarks for Characterization of Minima, Transition States, and Pathways in Atomic, Molecular, and Condensed Matter SystemsSamuel T Chill, Jacob Stevenson, Victor Ruehle, et al.The Journal of Chemical Physics|December 3, 2008
Adaptive kinetic Monte Carlo for first-principles accelerated dynamicsLijun Xu, Graeme HenkelmanThe Journal of Chemical Physics|September 18, 2012
Communication: From graphite to diamond: reaction pathways of the phase transitionPenghao Xiao, Graeme HenkelmanPhysical Review Letters|April 12, 2003
Multiple time scale simulations of metal crystal growth reveal the importance of multiatom surface processesGraeme Henkelman, Hannes JónssonLangmuir : the ACS Journal of Surfaces and Colloids|November 22, 2018
Calculations of the pH-Dependent Onset Potential for CO Electrooxidation on Au(111)Zhiyao Duan, Graeme HenkelmanPageof 18