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The Journal of Chemical Physics|April 20, 2005
Chemical reaction rates from ring polymer molecular dynamicsIan R Craig, David E ManolopoulosThe Journal of Chemical Physics|August 12, 2004
Quantum statistics and classical mechanics: real time correlation functions from ring polymer molecular dynamicsIan R Craig, David E ManolopoulosThe Journal of Chemical Physics|August 6, 2005
A refined ring polymer molecular dynamics theory of chemical reaction ratesIan R Craig, David E ManolopoulosThe Journal of Chemical Physics|April 17, 2008
Proton transfer in a polar solvent from ring polymer reaction rate theoryRosana Collepardo-Guevara, Ian R Craig, David E ManolopoulosPhysical Chemistry Chemical Physics : PCCP|September 3, 2011
Free energy calculations for a flexible water modelScott Habershon, David E ManolopoulosThe Journal of Chemical Physics|January 12, 2010
Zero point energy leakage in condensed phase dynamics: an assessment of quantum simulation methods for liquid waterScott Habershon, David E ManolopoulosPhysical Review Letters|September 26, 2012
Efficient first-principles calculation of the quantum kinetic energy and momentum distribution of nucleiMichele Ceriotti, David E ManolopoulosThe Journal of Chemical Physics|December 16, 2011
Thermodynamic integration from classical to quantum mechanicsScott Habershon, David E ManolopoulosFaraday Discussions|November 30, 2016
Reaction rate theory: summarising remarksDavid Chandler, David E ManolopoulosThe Journal of Chemical Physics|May 28, 2005
Quantum diffusion in liquid para-hydrogen from ring-polymer molecular dynamicsThomas F Miller, David E ManolopoulosPageof 8