Publications

Author Title Type [ Year(Asc)]
Filters: Keyword is Algorithms  [Clear All Filters]
2013
Hsieh, C. - Y. ; Kapral, R. . Analysis Of The Forward-Backward Trajectory Solution For The Mixed Quantum-Classical Liouville Equation. Journal of Chemical Physics 2013, 138.PDF icon PDF (741.29 KB)
2010
Thakur, S. ; Kapral, R. . Self-Propelled Nanodimer Bound State Pairs. Journal of Chemical Physics 2010, 133.PDF icon PDF (677.4 KB)
2008
Kim, H. ; Nassimi, A. ; Kapral, R. . Quantum-Classical Liouville Dynamics In The Mapping Basis. Journal of Chemical Physics 2008, 129.PDF icon PDF (152.72 KB)
Grunwald, R. ; Kim, H. ; Kapral, R. . Surface-Hopping Dynamics And Decoherence With Quantum Equilibrium Structure. Journal of Chemical Physics 2008, 128.PDF icon PDF (431.67 KB)
D. Kernan, M. ; Ciccotti, G. ; Kapral, R. . Trotter-Based Simulation Of Quantum-Classical Dynamics. Journal of Physical Chemistry B 2008, 112, 424-432.PDF icon PDF (144.4 KB)
2005
Hanna, G. ; Kapral, R. . Quantum-Classical Liouville Dynamics Of Nonadiabatic Proton Transfer. Journal of Chemical Physics 2005, 122.PDF icon PDF (173.48 KB)
2004
Sergi, A. ; Kapral, R. . Quantum-Classical Limit Of Quantum Correlation Functions. Journal of Chemical Physics 2004, 121, 7565-7576.PDF icon PDF (185.98 KB)
2003
Sergi, A. ; Kapral, R. . Nonadiabatic Reaction Rates For Dissipative Quantum-Classical Systems. Journal of Chemical Physics 2003, 119, 12776-12783.PDF icon PDF (127.51 KB)
2002
MacKernan, D. ; Kapral, R. ; Ciccotti, G. . Sequential Short-Time Propagation Of Quantum-Classical Dynamics. Journal of Physics Condensed Matter 2002, 14, 9069-9076.PDF icon PDF (116.71 KB)
Kernan, D. M. ; Ciccotti, G. ; Kapral, R. . Surface-Hopping Dynamics Of A Spin-Boson System. Journal of Chemical Physics 2002, 116, 2346-2353.PDF icon PDF (118.21 KB)