Publications

Author Title Type [ Year(Asc)]
Filters: Keyword is chemical model  [Clear All Filters]
2016
Reigh, S. Y. ; Huang, M. - J. ; Schofeld, J. ; Kapral, R. . Microscopic And Continuum Descriptions Of Janus Motor Fluid Flow Felds. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 2016, 374.PDF icon meso-janus-flow-2016.pdf (1.53 MB)
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)
2012
Huang, M. - J. ; Kapral, R. ; Mikhailov, A. S. ; Chen, H. - Y. . Coarse-Grain Model For Lipid Bilayer Self-Assembly And Dynamics: Multiparticle Collision Description Of The Solvent. Journal of Chemical Physics 2012, 137.PDF icon meso-lipid-jcp-12.pdf (464.5 KB)
2011
Thakur, S. ; Kapral, R. . Dynamics Of Self-Propelled Nanomotors In Chemically Active Media. Journal of Chemical Physics 2011, 135.PDF icon meso_nanomotor-active-media-jcp-2011.pdf (468.9 KB)
Thakur, S. ; Chen, J. - X. ; Kapral, R. . Interaction Of A Chemically Propelled Nanomotor With A Chemical Wave. Angewandte Chemie - International Edition 2011, 50, 10165-10169.PDF icon meso_wave-dimer-agc2-2011.pdf (1.78 MB)
2008
Tao, Y. - G. ; Kapral, R. . Design Of Chemically Propelled Nanodimer Motors. Journal of Chemical Physics 2008, 128.PDF icon PDF (1.29 MB)
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)
Hanna, G. ; Kapral, R. . Quantum-Classical Liouville Dynamics Of Proton And Deuteron Transfer Rates In A Solvated Hydrogen-Bonded Complex. Journal of Chemical Physics 2008, 128.PDF icon PDF (390.64 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)
2006
Hanna, G. ; Kapral, R. . Nonadiabatic Dynamics Of Condensed Phase Rate Processes. Accounts of Chemical Research 2006, 39, 21-27.PDF icon mqc-accounts06.pdf (149.81 KB)
2004
Davidsen, J. ; Erichsen, R. ; Kapral, R. ; Chaté, H. . From Ballistic To Brownian Vortex Motion In Complex Oscillatory Media. Physical Review Letters 2004, 93, 018305-1.PDF icon PDF (468.16 KB)