Publications

Author Title Type [ Year(Asc)]
Filters: Keyword is Models  [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)
2015
Huang, M. - J. ; Kapral, R. . A Catalytic Oligomeric Motor That Walks Along A Filament Track. Journal of Chemical Physics 2015, 142.PDF icon meso-filament-motor-jcp-2015.pdf (2 MB)
Echeverria, C. ; Kapral, R. . Enzyme Kinetics And Transport In A System Crowded By Mobile Macromolecules. Physical Chemistry Chemical Physics 2015, 17, 29243-29250.PDF icon PDF (2.75 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)
Huang, M. - J. ; Kapral, R. ; Mikhailov, A. S. ; Chen, H. - Y. . Coarse-Grain Simulations Of Active Molecular Machines In Lipid Bilayers. Journal of Chemical Physics 2013, 138.PDF icon PDF (464.5 KB)
Kapral, R. . Perspective: Nanomotors Without Moving Parts That Propel Themselves In Solution. Journal of Chemical Physics, 2013, 138.
De Buyl, P. ; Kapral, R. . Phoretic Self-Propulsion: A Mesoscopic Description Of Reaction Dynamics That Powers Motion. Nanoscale 2013, 5, 1337-1344.PDF icon meso-nanoscale-phoretic-13.pdf (546.74 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)
Schofield, J. ; Inder, P. ; Kapral, R. . Modeling Of Solvent Flow Effects In Enzyme Catalysis Under Physiological Conditions. Journal of Chemical Physics 2012, 136.PDF icon meso-pgk-jcp-12.pdf (1.09 MB)
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)
Chen, J. - X. ; Kapral, R. . Mesoscopic Dynamics Of Diffusion-Influenced Enzyme Kinetics. Journal of Chemical Physics 2011, 134.PDF icon meso-enzyme-kinetics-jcp-11.pdf (884.6 KB)
2010
Echeverria, C. ; Kapral, R. . Macromolecular Dynamics In Crowded Environments. Journal of Chemical Physics 2010, 132.PDF icon meso-polymer-crowd-jcp-2010.pdf (785.99 KB)
Thakur, S. ; Kapral, R. . Self-Propelled Nanodimer Bound State Pairs. Journal of Chemical Physics 2010, 133.PDF icon PDF (677.4 KB)
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)