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The Journal of Chemical Physics|May 27, 2008
Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal iceThomas E Markland, Scott Habershon, David E ManolopoulosThe Journal of Chemical Physics|November 13, 2007
Quantum mechanical correlation functions, maximum entropy analytic continuation, and ring polymer molecular dynamicsScott Habershon, Bastiaan J Braams, David E ManolopoulosPhysical Review. E|May 14, 2016
Quantum ring-polymer contraction method: Including nuclear quantum effects at no additional computational cost in comparison to ab initio molecular dynamicsChristopher John, Thomas Spura, Scott Habershon, et al.Journal of Computational Chemistry|September 10, 2003
Development of a multipopulation parallel genetic algorithm for structure solution from powder diffraction dataScott Habershon, Kenneth D M Harris, Roy L JohnstonThe Journal of Chemical Physics|February 3, 2019
Direct quantum dynamics using variational Gaussian wavepackets and Gaussian process regressionIakov Polyak, Gareth W Richings, Scott Habershon, et al.Journal of Chemical Theory and Computation|June 3, 2024
Predicting Long-Time-Scale Kinetics under Variable Experimental Conditions with Kinetica.jlJoe Gilkes, Mark T Storr, Reinhard J Maurer, et al.Chemical Communications (Cambridge, England)|March 18, 2017
UV-light promoted C-H bond activation of benzene and fluorobenzenes by an iridium(i) pincer complexSimone A Hauser, Jack Emerson-King, Scott Habershon, et al.Annual Review of Physical Chemistry|January 10, 2013
Ring-polymer molecular dynamics: quantum effects in chemical dynamics from classical trajectories in an extended phase spaceScott Habershon, David E Manolopoulos, Thomas E Markland, et al.The Journal of Physical Chemistry Letters|April 25, 2017
Ultrafast Transient Absorption Spectroscopy of the Sunscreen Constituent Ethylhexyl TriazoneLewis A Baker, Sarah L Clark, Scott Habershon, et al.Journal of Chemical Theory and Computation|March 18, 2021
Identifying Barrierless Mechanisms for Benzene Formation in the Interstellar Medium Using Permutationally Invariant Reaction DiscoveryChristopher Robertson, Ross Hyland, Andrew J D Lacey, et al.Pageof 6