Publications
] . Analysis Of The Forward-Backward Trajectory Solution For The Mixed Quantum-Classical Liouville Equation. Journal of Chemical Physics 2013, 138.
PDF (741.29 KB)
PDF (741.29 KB). Nonadiabatic Dynamics In Open Quantum-Classical Systems: Forward-Backward Trajectory Solution. Journal of Chemical Physics 2012, 137. mqc-fb-jcp-12.pdf (270.88 KB)
mqc-fb-jcp-12.pdf (270.88 KB). Analysis Of The Quantum-Classical Liouville Equation In The Mapping Basis. Journal of Chemical Physics 2010, 133. mqc-ali-map3-jcp-10.pdf (254.57 KB)
mqc-ali-map3-jcp-10.pdf (254.57 KB). Decoherence And Quantum-Classical Dynamics In A Dissipative Bath. Journal of Chemical Physics 2010, 132. mqc-rank-dissipative-jcp-10.pdf (210.63 KB)
mqc-rank-dissipative-jcp-10.pdf (210.63 KB). Quantum-Classical Description Of Environmental Effects On Electronic Dynamics At Conical Intersections. Journal of Chemical Physics 2010, 133. mqc-kelly-conical-jcp-10.pdf (885.15 KB)
mqc-kelly-conical-jcp-10.pdf (885.15 KB). Quantum-Classical Liouville Dynamics In The Mapping Basis. Journal of Chemical Physics 2008, 129. PDF (152.72 KB)
PDF (152.72 KB). Quantum-Classical Liouville Dynamics Of Proton And Deuteron Transfer Rates In A Solvated Hydrogen-Bonded Complex. Journal of Chemical Physics 2008, 128. PDF (390.64 KB)
PDF (390.64 KB). Surface-Hopping Dynamics And Decoherence With Quantum Equilibrium Structure. Journal of Chemical Physics 2008, 128. PDF (431.67 KB)
PDF (431.67 KB). Trotter-Based Simulation Of Quantum-Classical Dynamics. Journal of Physical Chemistry B 2008, 112, 424-432. PDF (144.4 KB)
PDF (144.4 KB). Decoherence And Quantum-Classical Master Equation Dynamics. Journal of Chemical Physics 2007, 126. PDF (279.89 KB)
PDF (279.89 KB). Quantum Equilibrium Structure For Strong Nonadiabatic Coupling: Reaction Rate Enhancement. Chemical Physics Letters 2007, 440, 215-220. mqc-kim-cluster-cpc-08.pdf (353.92 KB)
mqc-kim-cluster-cpc-08.pdf (353.92 KB). Quantum Reaction Rates And Sampling Of Quantum Equilibrium Structure. Journal of Chemical Physics 2007, 127. PDF (88.21 KB)
PDF (88.21 KB). Analysis Of Kinetic Isotope Effects For Nonadiabatic Reactions. Journal of Chemical Physics 2006, 125. PDF (164.27 KB)
PDF (164.27 KB). Nonadiabatic Dynamics Of Condensed Phase Rate Processes. Accounts of Chemical Research 2006, 39, 21-27. mqc-accounts06.pdf (149.81 KB)
mqc-accounts06.pdf (149.81 KB). Progress In The Theory Of Mixed Quantum-Classical Dynamics. Annual Review of Physical Chemistry, 2006, 57, 129-157.
. Quantum Bath Effects On Nonadiabatic Reaction Rates. Chemical Physics Letters 2006, 423, 76-80. PDF (156.18 KB)
PDF (156.18 KB). Nonadiabatic Chemical Reactions. Computer Physics Communications 2005, 169, 400-403. PDF (100.72 KB)
PDF (100.72 KB). Nonadiabatic Quantum-Classical Reaction Rates With Quantum Equilibrium Structure. Journal of Chemical Physics 2005, 123. PDF (160.83 KB)
PDF (160.83 KB). Quantum-Classical Liouville Dynamics Of Nonadiabatic Proton Transfer. Journal of Chemical Physics 2005, 122. PDF (173.48 KB)
PDF (173.48 KB). Transport Properties Of Quantum-Classical Systems. Journal of Chemical Physics 2005, 122. PDF (197.31 KB)
PDF (197.31 KB). Quantum-Classical Limit Of Quantum Correlation Functions. Journal of Chemical Physics 2004, 121, 7565-7576. PDF (185.98 KB)
PDF (185.98 KB). Nonadiabatic Reaction Rates For Dissipative Quantum-Classical Systems. Journal of Chemical Physics 2003, 119, 12776-12783. PDF (127.51 KB)
PDF (127.51 KB). Quantum-Classical Dynamics Of Nonadiabatic Chemical Reactions. Journal of Chemical Physics 2003, 118, 8566-8575. PDF (155.66 KB)
PDF (155.66 KB). Electron Solvation In Aqueous Reverse Micelles: Equilibrium Properties. Journal of Chemical Physics 2002, 117, 7712-7718. PDF (165.22 KB)
PDF (165.22 KB). Emergence Of Quantum-Classical Dynamics In An Open Quantum Environment. Journal of Chemical Physics 2002, 117, 7852-7863. PDF (176.42 KB)
PDF (176.42 KB). Sequential Short-Time Propagation Of Quantum-Classical Dynamics. Journal of Physics Condensed Matter 2002, 14, 9069-9076. PDF (116.71 KB)
PDF (116.71 KB). Surface-Hopping Dynamics Of A Spin-Boson System. Journal of Chemical Physics 2002, 116, 2346-2353. PDF (118.21 KB)
PDF (118.21 KB). Quantum-Classical Dynamics In A Classical Bath. Journal of Physical Chemistry A 2001, 105, 2885-2889. PDF (270.41 KB)
PDF (270.41 KB). Statistical Mechanics Of Quantum-Classical Systems. Journal of Chemical Physics 2001, 115, 5805-5815. PDF (1.12 MB)
PDF (1.12 MB). 1996 Polanyi Award Lecture Proton Reactions In Clusters. Canadian Journal of Chemistry 1997, 75, 1-8.
. Quantum Effects On The Solvent Contribution To The Activation Free Energy. Journal of Molecular Liquids 1994, 61, 37-47.