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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 HenkelmanJournal of Chemical Theory and Computation|December 2, 2015
Assessment of the Performance of the M05-2X and M06-2X Exchange-Correlation Functionals for Noncovalent Interactions in BiomoleculesEdward G Hohenstein, Samuel T Chill, C David SherrillThe 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.Journal of Physics. Condensed Matter : an Institute of Physics Journal|August 31, 2019
QuantumATK: an integrated platform of electronic and atomic-scale modelling toolsSøren Smidstrup, Troels Markussen, Pieter Vancraeyveld, et al.Pageof 1