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The Journal of Chemical Physics|April 22, 2019
Radical pair intersystem crossing: Quantum dynamics or incoherent kinetics?Thomas P Fay, David E ManolopoulosThe Journal of Chemical Physics|September 7, 2023
A multi-state mapping approach to surface hoppingJohan E Runeson, David E ManolopoulosThe Journal of Chemical Physics|July 16, 2008
An efficient ring polymer contraction scheme for imaginary time path integral simulationsThomas E Markland, David E ManolopoulosThe Journal of Physical Chemistry Letters|July 22, 2016
Nuclear Quantum Effects in H(+) and OH(-) Diffusion along Confined Water WiresMariana Rossi, Michele Ceriotti, David E ManolopoulosThe Journal of Chemical Physics|June 23, 2014
How to remove the spurious resonances from ring polymer molecular dynamicsMariana Rossi, Michele Ceriotti, David E ManolopoulosThe Journal of Chemical Physics|March 3, 2011
Accelerating the convergence of path integral dynamics with a generalized Langevin equationMichele Ceriotti, David E Manolopoulos, Michele ParrinelloThe Journal of Chemical Physics|July 17, 2009
Competing quantum effects in the dynamics of a flexible water modelScott Habershon, Thomas E Markland, David E ManolopoulosThe Journal of Chemical Physics|December 3, 2008
Comparison of path integral molecular dynamics methods for the infrared absorption spectrum of liquid waterScott Habershon, George S Fanourgakis, David E ManolopoulosThe 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 ManolopoulosPageof 8