Journal Articles | Raymond Kapral Research Group

2018

Finite-time fluctuation theorem for diffusion-influenced surface reactions on spherical and Janus catalytic particles
P. Gaspard, Grosfils, P. , Huang, M. - J. , and Kapral, R. , Journal Of Statistical Mechanics: Theory And Experiment 2018, (2018). PDF (845.71 KB)
Chemically Propelled Motors Navigate Chemical Patterns
J. - X. Chen, Chen, Y. - G. , and Kapral, R. , Advanced Science 5, (2018). PDF (3.32 MB)
Finite-time fluctuation theorem for diffusion-influenced surface reactions
P. Gaspard and Kapral, R. , Journal Of Statistical Mechanics: Theory And Experiment 2018, (2018). PDF (673.27 KB)
Dynamics of Janus motors with microscopically reversible kinetics
M. - J. Huang, Schofield, J. , Gaspard, P. , and Kapral, R. , Journal Of Chemical Physics 149, (2018). PDF (817.81 KB)
Nonequilibrium thermodynamics and boundary conditions for reaction and transport in heterogeneous media
P. Gaspard and Kapral, R. , Journal Of Chemical Physics 148, (2018). PDF (385.77 KB)
Fluctuating chemohydrodynamics and the stochastic motion of self-diffusiophoretic particles
P. Gaspard and Kapral, R. , Journal Of Chemical Physics 148, (2018). PDF (348.23 KB)
Collective orientational dynamics of pinned chemically-propelled nanorotors
B. Robertson, Stark, H. , and Kapral, R. , Chaos 28, (2018). PDF (2.19 MB)
Diffusiophoretically induced interactions between chemically active and inert particles
S. Y. Reigh, Chuphal, P. , Thakur, S. , and Kapral, R. , Soft Matter 14, (2018). PDF (1.06 MB)

2017

Many-body dynamics of chemically propelled nanomotors
P. H. Colberg and Kapral, R. , Journal Of Chemical Physics 147, (2017).
Transport in active systems crowded by obstacles
M. - J. Huang, Schofield, J. , and Kapral, R. , Journal Of Physics A: Mathematical And Theoretical 50, (2017). PDF (1022.13 KB)
Diffusion in systems crowded by active force-dipole molecules
M. Dennison, Kapral, R. , and Stark, H. , Soft Matter 13, (2017). PDF (2.55 MB)
Communication: Mechanochemical fluctuation theorem and thermodynamics of self-phoretic motors
P. Gaspard and Kapral, R. , Journal Of Chemical Physics 147, (2017). PDF (251.42 KB)
Chemotactic and hydrodynamic effects on collective dynamics of self-diffusiophoretic Janus motors
M. - J. Huang, Schofield, J. , and Kapral, R. , New Journal Of Physics 19, (2017). meso-janus-collective_njp.-2017.pdf (759.9 KB)

2016

Surface hopping from the perspective of quantum–classical Liouville dynamics
R. Kapral, Chemical Physics 481, (2016). mqc-surfhop-cp-2016.pdf (361.29 KB)
Microscopic and continuum descriptions of Janus motor fluid flow felds
S. Y. Reigh, Huang, M. - J. , Schofeld, J. , and Kapral, R. , Philosophical Transactions Of The Royal Society A: Mathematical, Physical And Engineering Sciences 374, (2016). meso-janus-flow-2016.pdf (1.53 MB)
Stirring a fluid at low Reynolds numbers: Hydrodynamic collective effects of active proteins in biological cells
R. Kapral and Mikhailov, A. S. , Physica D: Nonlinear Phenomena 318-319, (2016). force-dipole-physicsd-2016.pdf (1.83 MB)
A microscopic model for chemically-powered Janus motors
M. - J. Huang, Schofield, J. , and Kapral, R. , Soft Matter 12, (2016). meso-janus-hard-sm-2016.pdf (2.99 MB)

2015

Nanoconfined catalytic Ångström-size motors
P. H. Colberg and Kapral, R. , Journal Of Chemical Physics 143, (2015). chemotactic-hydrodynamic-effects-jcp-2017.pdf (3.82 MB)
Enzyme kinetics and transport in a system crowded by mobile macromolecules
C. Echeverria and Kapral, R. , Physical Chemistry Chemical Physics 17, (2015). PDF (2.75 MB)
Hydrodynamic collective effects of active protein machines in solution and lipid bilayers
A. S. Mikhailov and Kapral, R. , Proceedings Of The National Academy Of Sciences Of The United States Of America 112, (2015). force-dipoles-pnas-2015.pdf (578.12 KB)
A catalytic oligomeric motor that walks along a filament track
M. - J. Huang and Kapral, R. , Journal Of Chemical Physics 142, (2015). meso-filament-motor-jcp-2015.pdf (2 MB)
Catalytic dimer nanomotors: Continuum theory and microscopic dynamics
S. Y. Reigh and Kapral, R. , Soft Matter 11, (2015). meso-sphere-dimer-soft-mat-2015.pdf (2.32 MB)
Nanomotor dynamics in a chemically oscillating medium
B. Robertson and Kapral, R. , Journal Of Chemical Physics 142, (2015).

2014

Ångström-scale chemically powered motors
P. H. Colberg and Kapral, R. , Epl 106, (2014). meso-angstrom-scale-epl-2014.pdf (1.3 MB)
Analysis of geometric phase effects in the quantum-classical Liouville formalism
I. G. Ryabinkin, Hsieh, C. - Y. , Kapral, R. , and Izmaylov, A. F. , Journal Of Chemical Physics 140, (2014). mqc-geometric-phase-jcp-2014.pdf (2.98 MB)
Ring closure dynamics for a chemically active polymer
D. Sarkar, Thakur, S. , Tao, Y. - G. , and Kapral, R. , Soft Matter 10, (2014). meso-ring-closure-sm-2014.pdf (1.51 MB)
Diffusional correlations among multiple active sites in a single enzyme
C. Echeverria and Kapral, R. , Physical Chemistry Chemical Physics 16, (2014). meso-mult-sites-4ot-pccp-14.pdf (2.44 MB)
Quantum-classical liouville dynamics of condensed phase quantum processes
G. Hanna and Kapral, R. , Rsc Theoretical And Computational Chemistry Series (2014).

2013

Forward-backward solution of quantum-classical Liouville equation in the adiabatic mapping basis
C. - Y. Hsieh, Schofield, J. , and Kapral, R. , Molecular Physics 111, (2013). mqc-open-qc-syst-jphys-2015.pdf (874.07 KB)
Self-propulsion through symmetry breaking
P. De Buyl, Mikhailov, A. S. , and Kapral, R. , Epl 103, (2013). meso-prop-sym-break-epl-13.pdf (512 KB)
Coarse-grain simulations of active molecular machines in lipid bilayers
M. - J. Huang, Kapral, R. , Mikhailov, A. S. , and Chen, H. - Y. , Journal Of Chemical Physics 138, (2013). PDF (464.5 KB)
Analysis of the forward-backward trajectory solution for the mixed quantum-classical Liouville equation
C. - Y. Hsieh and Kapral, R. , Journal Of Chemical Physics 138, (2013). PDF (741.29 KB)
Phoretic self-propulsion: A mesoscopic description of reaction dynamics that powers motion
P. De Buyl and Kapral, R. , Nanoscale 5, (2013). meso-nanoscale-phoretic-13.pdf (546.74 KB)

2012

Nonadiabatic dynamics in open quantum-classical systems: Forward-backward trajectory solution
C. - Y. Hsieh and Kapral, R. , Journal Of Chemical Physics 137, (2012). mqc-fb-jcp-12.pdf (270.88 KB)
Coarse-grain model for lipid bilayer self-assembly and dynamics: Multiparticle collision description of the solvent
M. - J. Huang, Kapral, R. , Mikhailov, A. S. , and Chen, H. - Y. , Journal Of Chemical Physics 137, (2012). meso-lipid-jcp-12.pdf (464.5 KB)
Modeling of solvent flow effects in enzyme catalysis under physiological conditions
J. Schofield, Inder, P. , and Kapral, R. , Journal Of Chemical Physics 136, (2012). meso-pgk-jcp-12.pdf (1.09 MB)
Molecular crowding and protein enzymatic dynamics
C. Echeverria and Kapral, R. , Physical Chemistry Chemical Physics 14, (2012). meso-ake-crowd-pccp-12.pdf (430.53 KB)
Collective dynamics of self-propelled sphere-dimer motors
S. Thakur and Kapral, R. , Physical Review E - Statistical, Nonlinear, And Soft Matter Physics 85, (2012). meso-collective-pre-12.pdf (860.52 KB)
Mapping quantum-classical Liouville equation: Projectors and trajectories
A. Kelly, Van Zon, R. , Schofield, J. , and Kapral, R. , Journal Of Chemical Physics 136, (2012). mqc_map-proj-jcp-12.pdf (964.92 KB)

2011

Mesoscopic dynamics of diffusion-influenced enzyme kinetics
J. - X. Chen and Kapral, R. , Journal Of Chemical Physics 134, (2011). meso-enzyme-kinetics-jcp-11.pdf (884.6 KB)
Interaction of a chemically propelled nanomotor with a chemical wave
S. Thakur, Chen, J. - X. , and Kapral, R. , Angewandte Chemie - International Edition 50, (2011). meso_wave-dimer-agc2-2011.pdf (1.78 MB)
Dynamics of self-propelled nanomotors in chemically active media
S. Thakur and Kapral, R. , Journal Of Chemical Physics 135, (2011). meso_nanomotor-active-media-jcp-2011.pdf (468.9 KB)
A mesoscopic model for protein enzymatic dynamics in solution
C. Echeverria, Togashi, Y. , Mikhailov, A. S. , and Kapral, R. , Physical Chemistry Chemical Physics 13, (2011). meso_ake-pccp-2011.pdf (1.89 MB)

2010

Self-propelled nanodimer bound state pairs
S. Thakur and Kapral, R. , Journal Of Chemical Physics 133, (2010). PDF (677.4 KB)
Analysis of the quantum-classical Liouville equation in the mapping basis
A. Nassimi, Bonella, S. , and Kapral, R. , Journal Of Chemical Physics 133, (2010). mqc-ali-map3-jcp-10.pdf (254.57 KB)
Quantum-classical description of environmental effects on electronic dynamics at conical intersections
A. Kelly and Kapral, R. , Journal Of Chemical Physics 133, (2010). mqc-kelly-conical-jcp-10.pdf (885.15 KB)
Autocatalytic reaction dynamics in systems crowded by catalytic obstacles
C. Echeverria and Kapral, R. , Physica D: Nonlinear Phenomena 239, (2010). meso-crowd-auto-react-physicad-2010.pdf (1.4 MB)
Nanoscale swimmers: Hydrodynamic interactions and propulsion of molecular machines
T. Sakaue, Kapral, R. , and Mikhailov, A. S. , European Physical Journal B 75, (2010). PDF (1.26 MB)
Macromolecular dynamics in crowded environments
C. Echeverria and Kapral, R. , Journal Of Chemical Physics 132, (2010). meso-polymer-crowd-jcp-2010.pdf (785.99 KB)
Decoherence and quantum-classical dynamics in a dissipative bath
J. P. Rank and Kapral, R. , Journal Of Chemical Physics 132, (2010). mqc-rank-dissipative-jcp-10.pdf (210.63 KB)
Catalytic nanomotors: Self-propelled sphere dimers
L. F. Valadares, Tao, Y. - G. , Zacharia, N. S. , Kitaev, V. , Galembeck, F. , Kapral, R. , and Ozin, G. A. , Small 6, (2010). meso-small-10.pdf (673.31 KB)
Swimming upstream: Self-propelled nanodimer motors in a flow
Y. - G. Tao and Kapral, R. , Soft Matter 6, (2010). PDF (254.88 KB)
Linearization approximations and Liouville quantum-classical dynamics
S. Bonella, Ciccotti, G. , and Kapral, R. , Chemical Physics Letters 484, (2010). mqc-sara-linear-cpl-10.pdf (388.4 KB)

2009

Effective medium approach for heterogeneous reaction-diffusion media
S. Alonso, Bär, M. , and Kapral, R. , Journal Of Chemical Physics 131, (2009). PDF (533.45 KB)
Dynamics of chemically powered nanodimer motors subject to an external force
Y. - G. Tao and Kapral, R. , Journal Of Chemical Physics 131, (2009). PDF (346.59 KB)
Mapping approach for quantum-classical time correlation functions 1
A. Nassimi and Kapral, R. , Canadian Journal Of Chemistry 87, (2009). mqc_mapping-correl-cjc-09.pdf (202.83 KB)
Effective medium theory for reaction rates and diffusion coefficients of heterogeneous systems
S. Alonso, Kapral, R. , and Bär, M. , Physical Review Letters 102, (2009). PDF (1.15 MB)
Self-propelled polymer nanomotors
Y. - G. Tao and Kapral, R. , Chemphyschem 10, (2009). PDF (361.79 KB)

2008

Filament-induced surface spiral turbulence in three-dimensional excitable media
J. Davidsen, Zhan, M. , and Kapral, R. , Physical Review Letters 101, (2008). PDF (1.28 MB)
Quantum-classical Liouville dynamics in the mapping basis
H. Kim, Nassimi, A. , and Kapral, R. , Journal Of Chemical Physics 129, (2008). PDF (152.72 KB)
Reactive multiparticle collision dynamics
K. Rohlf, Fraser, S. , and Kapral, R. , Computer Physics Communications 179, (2008). PDF (755.95 KB)
Quantum-classical Liouville dynamics of proton and deuteron transfer rates in a solvated hydrogen-bonded complex
G. Hanna and Kapral, R. , Journal Of Chemical Physics 128, (2008). PDF (390.64 KB)
Design of chemically propelled nanodimer motors
Y. - G. Tao and Kapral, R. , Journal Of Chemical Physics 128, (2008). PDF (1.29 MB)
Surface-hopping dynamics and decoherence with quantum equilibrium structure
R. Grunwald, Kim, H. , and Kapral, R. , Journal Of Chemical Physics 128, (2008). PDF (431.67 KB)
Mesoscale modeling of molecular machines: Cyclic dynamics and hydrodynamical fluctuations
A. Cressman, Togashi, Y. , Mikhailov, A. S. , and Kapral, R. , Physical Review E - Statistical, Nonlinear, And Soft Matter Physics 77, (2008). PDF (448.29 KB)
Proton and deuteron transfer reactions in molecular nanoclusters
H. Kim and Kapral, R. , Chemphyschem 9, (2008). PDF (353.92 KB)
Trotter-based simulation of quantum-classical dynamics
M. D. Kernan, Ciccotti, G. , and Kapral, R. , Journal Of Physical Chemistry B 112, (2008). PDF (144.4 KB)
Twisted vortex filaments in the three-dimensional complex Ginzburg-Landau equation
G. Rousseau, Chat́, H. , and Kapral, R. , Chaos 18, (2008). PDF (3.49 MB)

2007

Diffusion and reaction in crowded environments
C. Echevería, Tucci, K. , and Kapral, R. , Journal Of Physics Condensed Matter 19, (2007). PDF (319.67 KB)
Quantum reaction rates and sampling of quantum equilibrium structure
H. Kim and Kapral, R. , Journal Of Chemical Physics 127, (2007). PDF (88.21 KB)
Quantum-classical reaction rate theory
G. Hanna, Kim, H. , and Kapral, R. , Springer Series In Chemical Physics 83, (2007). chapter_final.pdf (345.49 KB)
Quantum statistical dynamics with trajectories
G. Ciccotti, Coker, D. F. , and Kapral, R. , Springer Series In Chemical Physics 83, (2007). PDF (495.55 KB)
Quantum equilibrium structure for strong nonadiabatic coupling: Reaction rate enhancement
H. Kim and Kapral, R. , Chemical Physics Letters 440, (2007). mqc-kim-cluster-cpc-08.pdf (353.92 KB)
Chemically powered nanodimers
G. Rückner and Kapral, R. , Physical Review Letters 98, (2007). PDF (585.72 KB)
Decoherence and quantum-classical master equation dynamics
R. Grunwald and Kapral, R. , Journal Of Chemical Physics 126, (2007). PDF (279.89 KB)

2006

Transport coefficients of quantum-classical systems
R. Kapral and Ciccotti, G. , Lecture Notes In Physics 703, (2006). PDF (1.49 MB)
Solvation and proton transfer in polar molecule nanoclusters
H. Kim and Kapral, R. , Journal Of Chemical Physics 125, (2006). PDF (179.14 KB)
Analysis of kinetic isotope effects for nonadiabatic reactions
H. Kim, Hanna, G. , and Kapral, R. , Journal Of Chemical Physics 125, (2006). PDF (164.27 KB)
Mesoscopic description of solvent effects on polymer dynamics
S. H. Lee and Kapral, R. , Journal Of Chemical Physics 124, (2006). PDF (338.18 KB)
Quantum bath effects on nonadiabatic reaction rates
H. Kim and Kapral, R. , Chemical Physics Letters 423, (2006). PDF (156.18 KB)
Destruction of spiral waves in chaotic media
M. Zhan and Kapral, R. , Physical Review E - Statistical, Nonlinear, And Soft Matter Physics 73, (2006). PDF (556.26 KB)
Nonadiabatic dynamics of condensed phase rate processes
G. Hanna and Kapral, R. , Accounts Of Chemical Research 39, (2006). mqc-accounts06.pdf (149.81 KB)
Spiral wave dynamics in excitable media with spherical geometries
K. Rohlf, Glass, L. , and Kapral, R. , Chaos 16, (2006). PDF (1 MB)

2005

Nonadiabatic chemical reactions
A. Sergi and Kapral, R. , Computer Physics Communications 169, (2005). PDF (100.72 KB)
Quantum-classical wigner-liouville equation
R. Kapral and Sergi, A. , Ukrainian Mathematical Journal 57, (2005). PDF (159.22 KB)
Two-particle friction in a mesoscopic solvent
S. H. Lee and Kapral, R. , Journal Of Chemical Physics 122, (2005). PDF (189.75 KB)
Transport properties of quantum-classical systems
H. Kim and Kapral, R. , Journal Of Chemical Physics 122, (2005). PDF (197.31 KB)
Mesoscopic multiparticle collision dynamics of reaction-diffusion fronts
K. Tucci and Kapral, R. , Journal Of Physical Chemistry B 109, (2005). PDF (136.73 KB)
Nonadiabatic quantum-classical reaction rates with quantum equilibrium structure
H. Kim and Kapral, R. , Journal Of Chemical Physics 123, (2005). PDF (160.83 KB)
Model for line defects in complex-oscillatory spiral waves
M. Zhan and Kapral, R. , Physical Review E - Statistical, Nonlinear, And Soft Matter Physics 72, (2005). PDF (422.35 KB)
Front explosion in a periodically forced surface reaction
J. Davidsen, Mikhailov, A. , and Kapral, R. , Physical Review E - Statistical, Nonlinear, And Soft Matter Physics 72, (2005). PDF (809.11 KB)
Blue Moon sampling, vectorial reaction coordinates, and unbiased constrained dynamics
G. Ciccotti, Kapral, R. , and Vanden-Eijnden, E. , Chemphyschem 6, (2005). PDF (96.11 KB)
Erratum: Nonadiabatic reaction rates for dissipative quantum-classical systems (Journal of Chemical Physics (2003) 119 (12776))
A. Sergi and Kapral, R. , Journal Of Chemical Physics 123, (2005).
Quantum-classical Liouville dynamics of nonadiabatic proton transfer
G. Hanna and Kapral, R. , Journal Of Chemical Physics 122, (2005). PDF (173.48 KB)

2004

Friction and diffusion of a Brownian particle in a mesoscopic solvent
S. H. Lee and Kapral, R. , Journal Of Chemical Physics 121, (2004). PDF (105.07 KB)
Simulating chemical waves and patterns
R. Kapral, Reviews In Computational Chemistry 20, (2004).
From ballistic to Brownian vortex motion in complex oscillatory media
J. Davidsen, Erichsen, R. , Kapral, R. , and Chaté, H. , Physical Review Letters 93, (2004). PDF (468.16 KB)
Topological constraints on spiral wave dynamics in spherical geometries with inhomogeneous excitability
J. Davidsen, Glass, L. , and Kapral, R. , Physical Review E - Statistical, Nonlinear, And Soft Matter Physics 70, (2004). PDF (393.51 KB)
Mesoscopic model for diffusion-influenced reaction dynamics
K. Tucci and Kapral, R. , Journal Of Chemical Physics 120, (2004). PDF (137.51 KB)
Quantum-classical limit of quantum correlation functions
A. Sergi and Kapral, R. , Journal Of Chemical Physics 121, (2004). PDF (185.98 KB)
Topological constraints on spiral wave dynamics in spherical geometries with inhomogeneous excitability
J. Davidsen, Glass, L. , and Kapral, R. , Physical Review E - Statistical Physics, Plasmas, Fluids, And Related Interdisciplinary Topics 70, (2004). PDF (393.51 KB)

2003

Nonadiabatic reaction rates for dissipative quantum-classical systems
A. Sergi and Kapral, R. , Journal Of Chemical Physics 119, (2003). PDF (127.51 KB)
Simulating quantum dynamics in classical environments
A. Sergi, D. Kernan, M. , Ciccotti, G. , and Kapral, R. , Theoretical Chemistry Accounts 110, (2003). PDF (377.9 KB)
Defect-mediated turbulence in systems with local deterministic chaos
J. Davidsen and Kapral, R. , Physical Review Letters 91, (2003). PDF (288.11 KB)
Rapid convergence of time-averaged frequency in phase synchronized systems
J. Davidsen, Kiss, I. Z. , Hudson, J. L. , and Kapral, R. , Physical Review E - Statistical, Nonlinear, And Soft Matter Physics 68, (2003). PDF (105.66 KB)
Quantum-classical dynamics of nonadiabatic chemical reactions
A. Sergi and Kapral, R. , Journal Of Chemical Physics 118, (2003). PDF (155.66 KB)
Front explosions in three-dimensional resonantly-forced oscillatory systems
C. J. Hemming and Kapral, R. , Physical Review E - Statistical, Nonlinear, And Soft Matter Physics 68, (2003).

2002

Emergence of quantum-classical dynamics in an open quantum environment
K. Shiokawa and Kapral, R. , Journal Of Chemical Physics 117, (2002). PDF (176.42 KB)
Electron solvation in aqueous reverse micelles: Equilibrium properties
D. Laria and Kapral, R. , Journal Of Chemical Physics 117, (2002). PDF (165.22 KB)
Sequential short-time propagation of quantum-classical dynamics
D. MacKernan, Kapral, R. , and Ciccotti, G. , Journal Of Physics Condensed Matter 14, (2002). PDF (116.71 KB)
Front explosion in a resonantly forced complex Ginzburg-Landau system
C. Hemming and Kapral, R. , Physica D: Nonlinear Phenomena 168, (2002). PDF (249.53 KB)
Oscillatory and chaotic dynamics in compartmentalized geometries
F. Chávez and Kapral, R. , Physical Review E - Statistical, Nonlinear, And Soft Matter Physics 65, (2002). PDF (475.01 KB)
Phase front dynamics in inhomogeneously forced oscillatory systems
C. Hemming and Kapral, R. , Physica A: Statistical Mechanics And Its Applications 306, (2002). PDF (328.61 KB)
Surface-hopping dynamics of a spin-boson system
D. M. Kernan, Ciccotti, G. , and Kapral, R. , Journal Of Chemical Physics 116, (2002). PDF (118.21 KB)
Oscillatory and chaotic dynamics in compartmentalized geometries
F. Chávez and Kapral, R. , Physical Review E - Statistical Physics, Plasmas, Fluids, And Related Interdisciplinary Topics 65, (2002).
Oscillatory and chaotic dynamics in compartmentalized geometries
F. Chávez and Kapral, R. , Physical Review E - Statistical, Nonlinear, And Soft Matter Physics 65, (2002).
Phase synchronization and topological defects in inhomogeneous media
J. Davidsen and Kapral, R. , Physical Review E - Statistical Physics, Plasmas, Fluids, And Related Interdisciplinary Topics 66, (2002). PDF (161.91 KB)

2001

Statistical mechanics of quantum-classical systems
S. Nielsen, Kapral, R. , and Ciccotti, G. , Journal Of Chemical Physics 115, (2001). PDF (1.12 MB)
Cluster structure and dynamics in a mesoscopic solvent
S. H. Lee and Kapral, R. , Physica A: Statistical Mechanics And Its Applications 298, (2001). PDF (154.78 KB)
Subsystem dynamics in mixed quantum-classical systems
M. Toutounji and Kapral, R. , Chemical Physics 268, (2001). PDF (128.42 KB)
Quantum-classical dynamics in a classical bath
R. Kapral, Journal Of Physical Chemistry A 105, (2001). PDF (270.41 KB)
Compartmentalized reaction-diffusion systems
F. Chávez and Kapral, R. , Physical Review E - Statistical, Nonlinear, And Soft Matter Physics 63, (2001). PDF (520.88 KB)
Turbulent fronts in resonantly forced oscillatory systems
C. Hemming and Kapral, R. , Faraday Discussions 120, (2001). PDF (335.67 KB)
Scroll waves in spherical shell geometries
F. Chávez, Kapral, R. , Rousseau, G. , and Glass, L. , Chaos 11, (2001). PDF (278.38 KB)

2000

Non-adiabatic dynamics in mixed quantum-classical systems
S. Nielsen, Kapral, R. , and Ciccotti, G. , Journal Of Statistical Physics 101, (2000). PDF (387.83 KB)
Solute molecular dynamics in a mesoscale solvent
A. Malevanets and Kapral, R. , Journal Of Chemical Physics 112, (2000). PDF (241.61 KB)
Mixed quantum-classical surface hopping dynamics
S. Nielsen, Kapral, R. , and Ciccotti, G. , Journal Of Chemical Physics 112, (2000). PDF (298.78 KB)
Asynchronous algorithm for integration of reaction-diffusion equations for inhomogeneous excitable media
G. Rousseau and Kapral, R. , Chaos 10, (2000). PDF (624.6 KB)
Resonantly forced inhomogeneous reaction-diffusion systems
C. J. Hemming and Kapral, R. , Chaos 10, (2000). PDF (742.46 KB)
Dynamics of solvation-induced structural transitions in mesoscopic binary clusters
V. Molinero, Laria, D. , and Kapral, R. , Physical Review Letters 84, (2000). PDF (279.28 KB)
Synchronization defect lines
A. Goryachev, Kapral, R. , and Chaté, H. , International Journal Of Bifurcation And Chaos In Applied Sciences And Engineering 10, (2000). PDF (1.03 MB)