| Raymond Kapral Research Group

Review Article

Synthetic Nanomotors: Working Together through Chemistry
B. Robertson; M.J. Huang; J.X. Chen; R. Kapral. Accounts of Chemical Research, 51, 2355-2364 (2018). PDF
Quantum dynamics in open quantum-classical systems
R. Kapral. Journal of Physics Condensed Matter, 27, (2015).
Chemistry in motion: Tiny synthetic motors
P.H. Colberg; S.Y. Reigh; B. Robertson; R. Kapral. Accounts of Chemical Research, 47, 3504-3511 (2014).
Perspective: Nanomotors without moving parts that propel themselves in solution
R. Kapral. Journal of Chemical Physics, 138, (2013).
Progress in the theory of mixed quantum-classical dynamics
R. Kapral. Annual Review of Physical Chemistry, 57, 129-157 (2006).

Journal Article

Fluctuating chemohydrodynamics and the stochastic motion of self-diffusiophoretic particles
P. Gaspard; R. Kapral. Journal of Chemical Physics, 148, 134104 (2018). PDF
Collective orientational dynamics of pinned chemically-propelled nanorotors
B. Robertson; H. Stark; R. Kapral. Chaos, 28, 045109 (2018). PDF
Diffusiophoretically induced interactions between chemically active and inert particles
S.Y. Reigh; P. Chuphal; S. Thakur; R. Kapral. Soft Matter, 14, 6043-6057 (2018). PDF
Finite-time fluctuation theorem for diffusion-influenced surface reactions on spherical and Janus catalytic particles
P. Gaspard; P. Grosfils; M.J. Huang; R. Kapral. Journal of Statistical Mechanics: Theory and Experiment, 2018, (2018). PDF
Chemically Propelled Motors Navigate Chemical Patterns
J.X. Chen; Y.G. Chen; R. Kapral. Advanced Science, 5, (2018). PDF
Finite-time fluctuation theorem for diffusion-influenced surface reactions
P. Gaspard; R. Kapral. Journal of Statistical Mechanics: Theory and Experiment, 2018, (2018). PDF
Dynamics of Janus motors with microscopically reversible kinetics
M.J. Huang; J. Schofield; P. Gaspard; R. Kapral. Journal of Chemical Physics, 149, (2018). PDF
Nonequilibrium thermodynamics and boundary conditions for reaction and transport in heterogeneous media
P. Gaspard; R. Kapral. Journal of Chemical Physics, 148, (2018). PDF
Communication: Mechanochemical fluctuation theorem and thermodynamics of self-phoretic motors
P. Gaspard; R. Kapral. Journal of Chemical Physics, 147, (2017). PDF
Chemotactic and hydrodynamic effects on collective dynamics of self-diffusiophoretic Janus motors
M.J. Huang; J. Schofield; R. Kapral. New Journal of Physics, 19, 125003 (2017). meso-janus-collective_njp.-2017.pdf
Many-body dynamics of chemically propelled nanomotors
P.H. Colberg; R. Kapral. Journal of Chemical Physics, 147, (2017).
Transport in active systems crowded by obstacles
M.J. Huang; J. Schofield; R. Kapral. Journal of Physics A: Mathematical and Theoretical, 50, (2017). PDF
Diffusion in systems crowded by active force-dipole molecules
M. Dennison; R. Kapral; H. Stark. Soft Matter, 13, 3741-3749 (2017). PDF
Stirring a fluid at low Reynolds numbers: Hydrodynamic collective effects of active proteins in biological cells
R. Kapral; A.S. Mikhailov. Physica D: Nonlinear Phenomena, 318-319, 100-104 (2016). force-dipole-physicsd-2016.pdf
A microscopic model for chemically-powered Janus motors
M.J. Huang; J. Schofield; R. Kapral. Soft Matter, 12, 5581-5589 (2016). meso-janus-hard-sm-2016.pdf
Surface hopping from the perspective of quantum–classical Liouville dynamics
R. Kapral. Chemical Physics, 481, 77-83 (2016). mqc-surfhop-cp-2016.pdf
Microscopic and continuum descriptions of Janus motor fluid flow felds
S.Y. Reigh; M.J. Huang; J. Schofeld; R. Kapral. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, 374, (2016). meso-janus-flow-2016.pdf
Nanoconfined catalytic Ångström-size motors
P.H. Colberg; R. Kapral. Journal of Chemical Physics, 143, (2015). chemotactic-hydrodynamic-effects-jcp-2017.pdf
Enzyme kinetics and transport in a system crowded by mobile macromolecules
C. Echeverria; R. Kapral. Physical Chemistry Chemical Physics, 17, 29243-29250 (2015). PDF
Hydrodynamic collective effects of active protein machines in solution and lipid bilayers
A.S. Mikhailov; R. Kapral. Proceedings of the National Academy of Sciences of the United States of America, 112, E3639-E3644 (2015). force-dipoles-pnas-2015.pdf
A catalytic oligomeric motor that walks along a filament track
M.J. Huang; R. Kapral. Journal of Chemical Physics, 142, (2015). meso-filament-motor-jcp-2015.pdf
Catalytic dimer nanomotors: Continuum theory and microscopic dynamics
S.Y. Reigh; R. Kapral. Soft Matter, 11, 3149-3158 (2015). meso-sphere-dimer-soft-mat-2015.pdf
Nanomotor dynamics in a chemically oscillating medium
B. Robertson; R. Kapral. Journal of Chemical Physics, 142, (2015).
Analysis of geometric phase effects in the quantum-classical Liouville formalism
I.G. Ryabinkin; C.Y. Hsieh; R. Kapral; A.F. Izmaylov. Journal of Chemical Physics, 140, (2014). mqc-geometric-phase-jcp-2014.pdf
Diffusional correlations among multiple active sites in a single enzyme
C. Echeverria; R. Kapral. Physical Chemistry Chemical Physics, 16, 6211-6216 (2014). meso-mult-sites-4ot-pccp-14.pdf
Quantum-classical liouville dynamics of condensed phase quantum processes
G. Hanna; R. Kapral. RSC Theoretical and Computational Chemistry Series, , 233-259 (2014).
Ångström-scale chemically powered motors
P.H. Colberg; R. Kapral. EPL, 106, (2014). meso-angstrom-scale-epl-2014.pdf
Ring closure dynamics for a chemically active polymer
D. Sarkar; S. Thakur; Y.G. Tao; R. Kapral. Soft Matter, 10, 9577-9584 (2014). meso-ring-closure-sm-2014.pdf
Forward-backward solution of quantum-classical Liouville equation in the adiabatic mapping basis
C.Y. Hsieh; J. Schofield; R. Kapral. Molecular Physics, 111, 3546-3554 (2013). mqc-open-qc-syst-jphys-2015.pdf
Self-propulsion through symmetry breaking
P. De Buyl; A.S. Mikhailov; R. Kapral. EPL, 103, (2013). meso-prop-sym-break-epl-13.pdf
Coarse-grain simulations of active molecular machines in lipid bilayers
M.J. Huang; R. Kapral; A.S. Mikhailov; H.Y. Chen. Journal of Chemical Physics, 138, (2013). PDF
Analysis of the forward-backward trajectory solution for the mixed quantum-classical Liouville equation
C.Y. Hsieh; R. Kapral. Journal of Chemical Physics, 138, (2013). PDF
Phoretic self-propulsion: A mesoscopic description of reaction dynamics that powers motion
P. De Buyl; R. Kapral. Nanoscale, 5, 1337-1344 (2013). meso-nanoscale-phoretic-13.pdf
Collective dynamics of self-propelled sphere-dimer motors
S. Thakur; R. Kapral. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 85, (2012). meso-collective-pre-12.pdf
Mapping quantum-classical Liouville equation: Projectors and trajectories
A. Kelly; R. Van Zon; J. Schofield; R. Kapral. Journal of Chemical Physics, 136, (2012). mqc_map-proj-jcp-12.pdf
Nonadiabatic dynamics in open quantum-classical systems: Forward-backward trajectory solution
C.Y. Hsieh; R. Kapral. Journal of Chemical Physics, 137, (2012). mqc-fb-jcp-12.pdf
Coarse-grain model for lipid bilayer self-assembly and dynamics: Multiparticle collision description of the solvent
M.J. Huang; R. Kapral; A.S. Mikhailov; H.Y. Chen. Journal of Chemical Physics, 137, (2012). meso-lipid-jcp-12.pdf
Modeling of solvent flow effects in enzyme catalysis under physiological conditions
J. Schofield; P. Inder; R. Kapral. Journal of Chemical Physics, 136, (2012). meso-pgk-jcp-12.pdf
Molecular crowding and protein enzymatic dynamics
C. Echeverria; R. Kapral. Physical Chemistry Chemical Physics, 14, 6755-6763 (2012). meso-ake-crowd-pccp-12.pdf
Interaction of a chemically propelled nanomotor with a chemical wave
S. Thakur; J.X. Chen; R. Kapral. Angewandte Chemie - International Edition, 50, 10165-10169 (2011). meso_wave-dimer-agc2-2011.pdf
Dynamics of self-propelled nanomotors in chemically active media
S. Thakur; R. Kapral. Journal of Chemical Physics, 135, (2011). meso_nanomotor-active-media-jcp-2011.pdf
A mesoscopic model for protein enzymatic dynamics in solution
C. Echeverria; Y. Togashi; A.S. Mikhailov; R. Kapral. Physical Chemistry Chemical Physics, 13, 10527-10537 (2011). meso_ake-pccp-2011.pdf
Mesoscopic dynamics of diffusion-influenced enzyme kinetics
J.X. Chen; R. Kapral. Journal of Chemical Physics, 134, (2011). meso-enzyme-kinetics-jcp-11.pdf
Decoherence and quantum-classical dynamics in a dissipative bath
J.P. Rank; R. Kapral. Journal of Chemical Physics, 132, (2010). mqc-rank-dissipative-jcp-10.pdf
Catalytic nanomotors: Self-propelled sphere dimers
L.F. Valadares; Y.G. Tao; N.S. Zacharia; V. Kitaev; F. Galembeck; R. Kapral; G.A. Ozin. Small, 6, 565-572 (2010). meso-small-10.pdf
Swimming upstream: Self-propelled nanodimer motors in a flow
Y.G. Tao; R. Kapral. Soft Matter, 6, 756-761 (2010). PDF
Linearization approximations and Liouville quantum-classical dynamics
S. Bonella; G. Ciccotti; R. Kapral. Chemical Physics Letters, 484, 399-404 (2010). mqc-sara-linear-cpl-10.pdf
Self-propelled nanodimer bound state pairs
S. Thakur; R. Kapral. Journal of Chemical Physics, 133, (2010). PDF
Analysis of the quantum-classical Liouville equation in the mapping basis
A. Nassimi; S. Bonella; R. Kapral. Journal of Chemical Physics, 133, (2010). mqc-ali-map3-jcp-10.pdf
Quantum-classical description of environmental effects on electronic dynamics at conical intersections
A. Kelly; R. Kapral. Journal of Chemical Physics, 133, (2010). mqc-kelly-conical-jcp-10.pdf
Autocatalytic reaction dynamics in systems crowded by catalytic obstacles
C. Echeverria; R. Kapral. Physica D: Nonlinear Phenomena, 239, 791-796 (2010). meso-crowd-auto-react-physicad-2010.pdf
Macromolecular dynamics in crowded environments
C. Echeverria; R. Kapral. Journal of Chemical Physics, 132, (2010). meso-polymer-crowd-jcp-2010.pdf
Nanoscale swimmers: Hydrodynamic interactions and propulsion of molecular machines
T. Sakaue; R. Kapral; A.S. Mikhailov. European Physical Journal B, 75, 381-387 (2010). PDF
Effective medium approach for heterogeneous reaction-diffusion media
S. Alonso; M. Bär; R. Kapral. Journal of Chemical Physics, 131, (2009). PDF
Dynamics of chemically powered nanodimer motors subject to an external force
Y.G. Tao; R. Kapral. Journal of Chemical Physics, 131, (2009). PDF
Mapping approach for quantum-classical time correlation functions 1
A. Nassimi; R. Kapral. Canadian Journal of Chemistry, 87, 880-890 (2009). mqc_mapping-correl-cjc-09.pdf
Effective medium theory for reaction rates and diffusion coefficients of heterogeneous systems
S. Alonso; R. Kapral; M. Bär. Physical Review Letters, 102, (2009). PDF
Self-propelled polymer nanomotors
Y.G. Tao; R. Kapral. ChemPhysChem, 10, 770-773 (2009). PDF
Filament-induced surface spiral turbulence in three-dimensional excitable media
J. Davidsen; M. Zhan; R. Kapral. Physical Review Letters, 101, (2008). PDF
Quantum-classical Liouville dynamics in the mapping basis
H. Kim; A. Nassimi; R. Kapral. Journal of Chemical Physics, 129, (2008). PDF
Reactive multiparticle collision dynamics
K. Rohlf; S. Fraser; R. Kapral. Computer Physics Communications, 179, 132-139 (2008). PDF
Quantum-classical Liouville dynamics of proton and deuteron transfer rates in a solvated hydrogen-bonded complex
G. Hanna; R. Kapral. Journal of Chemical Physics, 128, (2008). PDF
Design of chemically propelled nanodimer motors
Y.G. Tao; R. Kapral. Journal of Chemical Physics, 128, (2008). PDF
Surface-hopping dynamics and decoherence with quantum equilibrium structure
R. Grunwald; H. Kim; R. Kapral. Journal of Chemical Physics, 128, (2008). PDF
Mesoscale modeling of molecular machines: Cyclic dynamics and hydrodynamical fluctuations
A. Cressman; Y. Togashi; A.S. Mikhailov; R. Kapral. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 77, (2008). PDF
Proton and deuteron transfer reactions in molecular nanoclusters
H. Kim; R. Kapral. ChemPhysChem, 9, 470-474 (2008). PDF
Trotter-based simulation of quantum-classical dynamics
M. Kernan; G. Ciccotti; R. Kapral. Journal of Physical Chemistry B, 112, 424-432 (2008). PDF
Twisted vortex filaments in the three-dimensional complex Ginzburg-Landau equation
G. Rousseau; H. Chat́; R. Kapral. Chaos, 18, (2008). PDF
Quantum reaction rates and sampling of quantum equilibrium structure
H. Kim; R. Kapral. Journal of Chemical Physics, 127, (2007). PDF
Quantum-classical reaction rate theory
G. Hanna; H. Kim; R. Kapral. Springer Series in Chemical Physics, 83, 295-319 (2007). chapter_final.pdf
Quantum statistical dynamics with trajectories
G. Ciccotti; D.F. Coker; R. Kapral. Springer Series in Chemical Physics, 83, 275-293 (2007). PDF
Quantum equilibrium structure for strong nonadiabatic coupling: Reaction rate enhancement
H. Kim; R. Kapral. Chemical Physics Letters, 440, 215-220 (2007). mqc-kim-cluster-cpc-08.pdf
Chemically powered nanodimers
G. Rückner; R. Kapral. Physical Review Letters, 98, (2007). PDF
Decoherence and quantum-classical master equation dynamics
R. Grunwald; R. Kapral. Journal of Chemical Physics, 126, (2007). PDF
Diffusion and reaction in crowded environments
C. Echevería; K. Tucci; R. Kapral. Journal of Physics Condensed Matter, 19, (2007). PDF
Quantum bath effects on nonadiabatic reaction rates
H. Kim; R. Kapral. Chemical Physics Letters, 423, 76-80 (2006). PDF
Destruction of spiral waves in chaotic media
M. Zhan; R. Kapral. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 73, (2006). PDF
Nonadiabatic dynamics of condensed phase rate processes
G. Hanna; R. Kapral. Accounts of Chemical Research, 39, 21-27 (2006). mqc-accounts06.pdf
Spiral wave dynamics in excitable media with spherical geometries
K. Rohlf; L. Glass; R. Kapral. Chaos, 16, (2006). PDF
Transport coefficients of quantum-classical systems
R. Kapral; G. Ciccotti. Lecture Notes in Physics, 703, 519-551 (2006). PDF
Solvation and proton transfer in polar molecule nanoclusters
H. Kim; R. Kapral. Journal of Chemical Physics, 125, (2006). PDF
Analysis of kinetic isotope effects for nonadiabatic reactions
H. Kim; G. Hanna; R. Kapral. Journal of Chemical Physics, 125, (2006). PDF
Mesoscopic description of solvent effects on polymer dynamics
S.H. Lee; R. Kapral. Journal of Chemical Physics, 124, (2006). PDF
Erratum: Nonadiabatic reaction rates for dissipative quantum-classical systems (Journal of Chemical Physics (2003) 119 (12776))
A. Sergi; R. Kapral. Journal of Chemical Physics, 123, (2005).
Quantum-classical Liouville dynamics of nonadiabatic proton transfer
G. Hanna; R. Kapral. Journal of Chemical Physics, 122, (2005). PDF
Nonadiabatic chemical reactions
A. Sergi; R. Kapral. Computer Physics Communications, 169, 400-403 (2005). PDF
Quantum-classical wigner-liouville equation
R. Kapral; A. Sergi. Ukrainian Mathematical Journal, 57, 891-899 (2005). PDF
Two-particle friction in a mesoscopic solvent
S.H. Lee; R. Kapral. Journal of Chemical Physics, 122, (2005). PDF
Transport properties of quantum-classical systems
H. Kim; R. Kapral. Journal of Chemical Physics, 122, (2005). PDF
Mesoscopic multiparticle collision dynamics of reaction-diffusion fronts
K. Tucci; R. Kapral. Journal of Physical Chemistry B, 109, 21300-21304 (2005). PDF
Nonadiabatic quantum-classical reaction rates with quantum equilibrium structure
H. Kim; R. Kapral. Journal of Chemical Physics, 123, (2005). PDF
Model for line defects in complex-oscillatory spiral waves
M. Zhan; R. Kapral. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 72, (2005). PDF
Front explosion in a periodically forced surface reaction
J. Davidsen; A. Mikhailov; R. Kapral. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 72, (2005). PDF
Blue Moon sampling, vectorial reaction coordinates, and unbiased constrained dynamics
G. Ciccotti; R. Kapral; E. Vanden-Eijnden. ChemPhysChem, 6, 1809-1814 (2005). PDF
Topological constraints on spiral wave dynamics in spherical geometries with inhomogeneous excitability
J. Davidsen; L. Glass; R. Kapral. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 70, 056203-1-056203-6 (2004). PDF
Friction and diffusion of a Brownian particle in a mesoscopic solvent
S.H. Lee; R. Kapral. Journal of Chemical Physics, 121, 11163-11169 (2004). PDF
Quantum-classical limit of quantum correlation functions
A. Sergi; R. Kapral. Journal of Chemical Physics, 121, 7565-7576 (2004). PDF
Simulating chemical waves and patterns
R. Kapral. Reviews in Computational Chemistry, 20, 219-247 (2004).
From ballistic to Brownian vortex motion in complex oscillatory media
J. Davidsen; R. Erichsen; R. Kapral; H. Chaté. Physical Review Letters, 93, 018305-1 (2004). PDF
Mesoscopic model for diffusion-influenced reaction dynamics
K. Tucci; R. Kapral. Journal of Chemical Physics, 120, 8262-8270 (2004). PDF
Topological constraints on spiral wave dynamics in spherical geometries with inhomogeneous excitability
J. Davidsen; L. Glass; R. Kapral. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 70, 6 (2004). PDF
Nonadiabatic reaction rates for dissipative quantum-classical systems
A. Sergi; R. Kapral. Journal of Chemical Physics, 119, 12776-12783 (2003). PDF
Simulating quantum dynamics in classical environments
A. Sergi; M. Kernan; G. Ciccotti; R. Kapral. Theoretical Chemistry Accounts, 110, 49-58 (2003). PDF
Defect-mediated turbulence in systems with local deterministic chaos
J. Davidsen; R. Kapral. Physical Review Letters, 91, 583031-583034 (2003). PDF
Rapid convergence of time-averaged frequency in phase synchronized systems
J. Davidsen; I.Z. Kiss; J.L. Hudson; R. Kapral. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 68, 026217/1-026217/6 (2003). PDF
Quantum-classical dynamics of nonadiabatic chemical reactions
A. Sergi; R. Kapral. Journal of Chemical Physics, 118, 8566-8575 (2003). PDF
Front explosions in three-dimensional resonantly-forced oscillatory systems
C.J. Hemming; R. Kapral. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 68, 026203/1-026203/8 (2003).
Oscillatory and chaotic dynamics in compartmentalized geometries
F. Chávez; R. Kapral. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 65, 056203/1-056203/9 (2002). PDF
Phase front dynamics in inhomogeneously forced oscillatory systems
C. Hemming; R. Kapral. Physica A: Statistical Mechanics and its Applications, 306, 199-210 (2002). PDF
Surface-hopping dynamics of a spin-boson system
D.M. Kernan; G. Ciccotti; R. Kapral. Journal of Chemical Physics, 116, 2346-2353 (2002). PDF
Oscillatory and chaotic dynamics in compartmentalized geometries
F. Chávez; R. Kapral. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 65, 9 (2002).
Oscillatory and chaotic dynamics in compartmentalized geometries
F. Chávez; R. Kapral. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 65, 056203/1-056203/9 (2002).
Phase synchronization and topological defects in inhomogeneous media
J. Davidsen; R. Kapral. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 66, 4 (2002). PDF
Emergence of quantum-classical dynamics in an open quantum environment
K. Shiokawa; R. Kapral. Journal of Chemical Physics, 117, 7852-7863 (2002). PDF
Electron solvation in aqueous reverse micelles: Equilibrium properties
D. Laria; R. Kapral. Journal of Chemical Physics, 117, 7712-7718 (2002). PDF
Sequential short-time propagation of quantum-classical dynamics
D. MacKernan; R. Kapral; G. Ciccotti. Journal of Physics Condensed Matter, 14, 9069-9076 (2002). PDF
Front explosion in a resonantly forced complex Ginzburg-Landau system
C. Hemming; R. Kapral. Physica D: Nonlinear Phenomena, 168, 10-22 (2002). PDF
Turbulent fronts in resonantly forced oscillatory systems
C. Hemming; R. Kapral. Faraday Discussions, 120, 371-382 (2001). PDF
Scroll waves in spherical shell geometries
F. Chávez; R. Kapral; G. Rousseau; L. Glass. Chaos, 11, 757-765 (2001). PDF
Statistical mechanics of quantum-classical systems
S. Nielsen; R. Kapral; G. Ciccotti. Journal of Chemical Physics, 115, 5805-5815 (2001). PDF
Cluster structure and dynamics in a mesoscopic solvent
S.H. Lee; R. Kapral. Physica A: Statistical Mechanics and its Applications, 298, 56-68 (2001). PDF
Subsystem dynamics in mixed quantum-classical systems
M. Toutounji; R. Kapral. Chemical Physics, 268, 79-89 (2001). PDF
Quantum-classical dynamics in a classical bath
R. Kapral. Journal of Physical Chemistry A, 105, 2885-2889 (2001). PDF
Compartmentalized reaction-diffusion systems
F. Chávez; R. Kapral. Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 63, 1-9 (2001). PDF
Resonantly forced inhomogeneous reaction-diffusion systems
C.J. Hemming; R. Kapral. Chaos, 10, 720-730 (2000). PDF
Dynamics of solvation-induced structural transitions in mesoscopic binary clusters
V. Molinero; D. Laria; R. Kapral. Physical Review Letters, 84, 455-458 (2000). PDF
Synchronization defect lines
A. Goryachev; R. Kapral; H. Chaté. International Journal of Bifurcation and Chaos in Applied Sciences and Engineering, 10, 1537-1564 (2000). PDF
Non-adiabatic dynamics in mixed quantum-classical systems
S. Nielsen; R. Kapral; G. Ciccotti. Journal of Statistical Physics, 101, 225-242 (2000). PDF
Solute molecular dynamics in a mesoscale solvent
A. Malevanets; R. Kapral. Journal of Chemical Physics, 112, 7260-7269 (2000). PDF
Mixed quantum-classical surface hopping dynamics
S. Nielsen; R. Kapral; G. Ciccotti. Journal of Chemical Physics, 112, 6543-6553 (2000). PDF
Asynchronous algorithm for integration of reaction-diffusion equations for inhomogeneous excitable media
G. Rousseau; R. Kapral. Chaos, 10, 812-825 (2000). PDF
Polymerase chain reaction: A Markov process approach
M.V. Velikanov; R. Kapral. Journal of Theoretical Biology, 201, 239-249 (1999).
Ionization reactions of ion complexes in mesoscopic water clusters
S. Consta; R. Kapral. Journal of Chemical Physics, 111, 10183-10191 (1999).
Fluctuation effects on quadratic autocatalysis fronts
M.V. Velikanov; R. Kapral. Journal of Chemical Physics, 110, 109-115 (1999).
Mixed quantum-classical dynamics
R. Kapral. Journal of Chemical Physics, 110, 8919-8929 (1999).
Spiral waves in media with complex-excitable dynamics
A. Goryachev; R. Kapral. International Journal of Bifurcation and Chaos in Applied Sciences and Engineering, 9, 2243-2247 (1999).
Transitions to line-defect turbulence in complex oscillatory media
A. Goryachev; H. Chaté; R. Kapral. Physical Review Letters, 83, 1878-1881 (1999).
Coloring a Lorentz gas
S. Nielsen; R. Kapral. Journal of Chemical Physics, 109, 6460-6468 (1998).
Mixing and segregation in binary polar-molecule clusters
V. Molinero; D. Laria; R. Kapral. Journal of Chemical Physics, 109, 6844-6853 (1998).
Synchronization defects and broken symmetry in spiral waves
A. Goryachev; H. Chaté; R. Kapral. Physical Review Letters, 80, 873-876 (1998).
Coiling and supercoiling of vortex filaments in oscillatory media
G. Rousseau; H. Chaté; R. Kapral. Physical Review Letters, 80, 5671-5674 (1998).
Perturbation theory for the breakdown of mean-field kinetics in oscillatory reaction-diffusion systems
M.V. Velikanov; R. Kapral. Journal of Chemical Physics, 109, 281-293 (1998).
Continuous-velocity lattice-gas model for fluid flow
A. Malevanets; R. Kapral. Europhysics Letters, 44, 552-558 (1998).
1996 Polanyi Award Lecture Proton reactions in clusters
R. Kapral; S. Consta; D. Laria. Canadian Journal of Chemistry, 75, 1-8 (1997).
Slow manifold structure and the emergence of mixed-mode oscillations
A. Goryachev; P. Strizhak; R. Kapral. Journal of Chemical Physics, 107, 2881-2889 (1997).
Dichotomously switched phase flows
S.J. Fraser; R. Kapral. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 56, 2582-2591 (1997).
Spatiotemporal dynamics of mesoscopic chaotic systems
R. Kapral; X.G. Wu. Physica D: Nonlinear Phenomena, 103, 314-329 (1997).
Microscopic model for FitzHugh-Nagumo dynamics
A. Malevanets; R. Kapral. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 55, 5657-5670 (1997).
Critical behavior of complex interfaces
R. Kapral; R. Livi; A. Politi. Physical Review Letters, 79, 2277-2280 (1997).
Lattice gas automata for reactive systems
J.P. Boon; D. David; R. Kapral; A. Lawniczak. Physics Report, 273, 55-147 (1996).
Molecular dynamics study of solvation effects on acid dissociation in aprotic media
D. Laria; R. Kapral; D. Estrin; G. Ciccotti. Journal of Chemical Physics, 104, 6560-6568 (1996).
Stochastic description of temporal and spatial dynamics of far-from-equilibrium reactions
R. Kapral; X.G. Wu. Journal of Physical Chemistry, 100, 18976-18985 (1996).
Structure of complex-periodic and chaotic media with spiral waves
A. Goryachev; R. Kapral. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 54, 5469-5481 (1996).
Surface structure and catalytic CO oxidation oscillations
R. Danielak; A. Perera; M. Moreau; M. Frankowicz; R. Kapral. Physica A: Statistical Mechanics and its Applications, 229, 428-443 (1996).
Spiral waves in chaotic systems
A. Goryachev; R. Kapral. Physical Review Letters, 76, 1619-1622 (1996).
Dynamics of proton transfer in mesoscopic clusters
S. Consta; R. Kapral. Journal of Chemical Physics, 104, 4581-4590 (1996).
Links, knots, and knotted labyrinths in bistable systems
A. Malevanets; R. Kapral. Physical Review Letters, 77, 767-770 (1996).
Turing pattern formation in heterogeneous media
J.P. Voroney; A.T. Lawniczak; R. Kapral. Physica D: Nonlinear Phenomena, 99, 303-317 (1996).
Collision dynamics of fronts in the Korteweg-de Vries-Burgers equation
S. Puri; R.C. Desai; R. Kapral. Physica D: Nonlinear Phenomena, 89, 15-27 (1995).
Pattern formation in chemical systems
R. Kapral. Physica D: Nonlinear Phenomena, 86, 149-157 (1995).
Biscale chaos in propagating fronts
A. Malevanets; A. Careta; R. Kapral. Physical Review E, 52, 4724-4735 (1995).
Effects of molecular fluctuations on chemical oscillations and chaos
X.G. Wu; R. Kapral. The Journal of Chemical Physics, 100, 5936-5948 (1994).
Structure of two-component clusters
A.S. Clarke; R. Kapral; G.N. Patey. The Journal of Chemical Physics, 101, 2432-2445 (1994).
Anomalous relaxation in noise-driven bistable systems
S.J. Fraser; R. Kapral. Fractals, 2, 1-5 (1994).
Quantum effects on the solvent contribution to the activation free energy
M. Ferrario; D. Laria; G. Ciccotti; R. Kapral. Journal of Molecular Liquids, 61, 37-47 (1994).
Dynamics of complex interfaces
R. Kapral; R. Livi; G.L. Oppo; A. Politi. Physical Review E, 49, 2009-2022 (1994).
Interaction of Turing and flow-induced chemical instabilities
P. Dawson; A. Lawniczak; R. Kapral. The Journal of Chemical Physics, 100, 5211-5218 (1994).
Activation free energy for proton transfer in solution
D. Laria; G. Ciccotti; M. Ferrario; R. Kapral. Chemical Physics, 180, 181-189 (1994).
Proton transfer in mesoscopic, molecular clusters
S. Consta; R. Kapral. The Journal of Chemical Physics, 101, 10908-10914 (1994).
Spatiotemporal intermittency on fractal lattices
M.G. Cosenza; R. Kapral. Chaos, 4, 99-104 (1994).
Internal fluctuations, period doubling, and chemical chaos
X.G. Wu; R. Kapral. Physical Review E, 50, 3560-3568 (1994).
Nucleation, domain growth, and fluctuations in a bistable chemical system
D. Gruner; R. Kapral; A. Lawniczak. The Journal of Chemical Physics, 99, 3938-3945 (1993).
Unpredictable behaviour in stable systems
A. Politic; R. Livi; G.L. Oppo; R. Kapral. EPL, 22, 571-576 (1993).
Molecular Turing structures in the biochemistry of the cell
B. Hasslacher; R. Kapral; A. Lawniczak. Chaos, 3, 7-13 (1993).
Dynamics of oscillators with periodic dichotomous noise
R. Kapral; S.J. Fraser. Journal of Statistical Physics, 70, 61-76 (1993).
Structure and dynamics of binary clusters
A.S. Clarke; R. Kapral; B. Moore; X.G. Wu. Physical Review Letters, 70, 3283-3286 (1993).
Chemical Chaos and Internal Noise
R. Kapral; X.‐G. WU. Annals of the New York Academy of Sciences, 706, 186-195 (1993).
Internal fluctuations and deterministic chemical chaos
X.G. Wu; R. Kapral. Physical Review Letters, 70, 1940-1943 (1993).
Coupled maps on fractal lattices
M.G. Cosenza; R. Kapral. Physical Review A, 46, 1850-1858 (1992).
Reactive dynamics in a multispecies lattice-gas automaton
R. Kapral; A. Lawniczak; P. Masiar. The Journal of Chemical Physics, 96, 2762-2776 (1992).
Transition rates in a stochastic medium
B. Gaveau; E. Gudowska-Nowak; R. Kapral; M. Moreau. Physical Review A, 46, 825-836 (1992).
Molecular-dynamics study of adiabatic proton-transfer reactions in solution
D. Laria; G. Ciccotti; M. Ferrario; R. Kapral. The Journal of Chemical Physics, 97, 378-388 (1992).
Bistability driven by dichotomous noise: A comment
J.M. Porrà; J. Masoliver; K. Lindenberg; I. Le Heureux; R. Kapral. Physical Review A, 45, 6092-6094 (1992).
Coupled maps and pattern formation on the Sierpinski gasket
M.G. Cosenza; R. Kapral. Chaos, 2, 329-935 (1992).
Catalytic CO oxidation on Pt surfaces: a lattice-gas cellular automaton model
X.G. Wu; R. Kapral. Physica A: Statistical Mechanics and its Applications, 188, 284-301 (1992).
Stochastic transitions between a limit cycle and a fixed point
B. Gaveau; E. Gudowska-Nowak; R. Kapral; M. Moreau. Physica A: Statistical Mechanics and its Applications, 188, 443-451 (1992).
Periodic dichotomous-noise-induced transitions and stochastic coherence
S.J. Fraser; R. Kapral. Physical Review A, 45, 3412-3424 (1992).
Oscillations and waves in a reactive lattice-gas automaton
R. Kapral; A. Lawniczak; P. Masiar. Physical Review Letters, 66, 2539-2542 (1991).
Reactive lattice gas automata
A. Lawniczak; D. Dab; R. Kapral; J.P. Boon. Physica D: Nonlinear Phenomena, 47, 132-158 (1991).
Discrete models for chemically reacting systems
R. Kapral. Journal of Mathematical Chemistry, 6, 113-163 (1991).
Activation energies by molecular dynamics with constraints
E. Paci; G. Ciccotti; M. Ferrario; R. Kapral. Chemical Physics Letters, 176, 581-587 (1991).
Projected dynamics for BGK reaction kinetics
X.G. Wu; I. L'Heureux; R. Kapral. Chemical Physics Letters, 176, 242-248 (1991).
Chemical turbulence and phase resetting dynamics
X.G. Wu; R. Kapral. The Journal of Chemical Physics, 94, 1411-1419 (1991).
Coupled map model with a conserved order parameter
S. Puri; R.C. Desai; R. Kapral. Physica D: Nonlinear Phenomena, 50, 207-230 (1991).
Vortex dynamics in oscillatory chemical systems
X.G. Wu; M.N. Chee; R. Kapral. Chaos, 1, 421-434 (1991).
Phase resetting dynamics for a discrete reaction-diffusion model
M.N. Chee; R. Kapral; S.G. Whittington. The Journal of Chemical Physics, 92, 7315-7322 (1990).
Irwin, Fraser, and Kapral reply
A.J. Irwin; S.J. Fraser; R. Kapral. Physical Review Letters, 65, 3358 (1990).
Inhomogeneous perturbations and phase resetting in an oscillatory reaction-diffusion system
M.N. Chee; R. Kapral; S.G. Whittington. The Journal of Chemical Physics, 92, 7302-7314 (1990).
Stochastically induced coherence in bistable systems
A.J. Irwin; S.J. Fraser; R. Kapral. Physical Review Letters, 64, 2343-2346 (1990).
Cellular-automaton model for reactive systems
D. Dab; A. Lawniczak; J.P. Boon; R. Kapral. Physical Review Letters, 64, 2462-2465 (1990).
Dynamics of ion pair interconversion in a polar solvent
G. Ciccotti; M. Ferrario; J.T. Hynes; R. Kapral. The Journal of Chemical Physics, 93, 7137-7147 (1990).
Phase transformation kinetics in finite inhomogeneously nucleated systems
M. Weinberg; R. Kapral. The Journal of Chemical Physics, 91, 7146-7152 (1989).
Reactive dynamics in a deterministic thermal bath
S. Baratham; I. L'Heureux; R. Kapral. The Journal of Chemical Physics, 91, 5602-5612 (1989).
Noise-induced transitions in an excitable system
I. L'Heureux; R. Kapral; K. Bar-Eli. The Journal of Chemical Physics, 91, 4285-4298 (1989).
A stochastic theory of chemical reaction rates. II. Applications
B. Gaveau; J.T. Hynes; R. Kapral; M. Moreau. Journal of Statistical Physics, 56, 895-910 (1989).
A stochastic theory of chemical reaction rates. I. Formalism
B. Gaveau; J.T. Hynes; R. Kapral; M. Moreau. Journal of Statistical Physics, 56, 879-893 (1989).
White noise induced transitions between a limit cycle and a fixed point
I. L'Heureux; R. Kapral. Physics Letters A, 136, 472-476 (1989).
Constrained reaction coordinate dynamics for the simulation of rare events
E.A. Carter; G. Ciccotti; J.T. Hynes; R. Kapral. Chemical Physics Letters, 156, 472-477 (1989).
Constrained molecular dynamics and the mean potential for an ion pair in a polar solvent
G. Ciccotti; M. Ferrario; J.T. Hynes; R. Kapral. Chemical Physics, 129, 241-251 (1989).
Direct simulation of dichotomous noise-induced transitions in a bistable system
I. L'Heureux; R. Kapral. The Journal of Chemical Physics, 90, 2453-2459 (1989).
Projected dynamics: Analysis of a chemical reaction model
X.G. Wu; R. Kapral. The Journal of Chemical Physics, 91, 5528-5543 (1989).
Transition rates in a bistable system driven by external dichotomous noise
I. L'Heureux; R. Kapral. The Journal of Chemical Physics, 88, 7468-7477 (1988).
A model of wave propagation in an inhomogeneous excitable meduim
M.N. Chee; S.G. Whittington; R. Kapral. Physica D: Nonlinear Phenomena, 32, 437-450 (1988).
Phase separation and growth in a two-variable discrete model
R. Kapral; G.L. Oppo; D.B. Brown. Physica A: Statistical Mechanics and its Applications, 147, 77-89 (1987).
Bistable limit cycle oscillations in chemical systems. I. Basins of attraction
E.A. Celarier; R. Kapral. The Journal of Chemical Physics, 86, 3357-3365 (1987).
Bistable limit cycle oscillations in chemical systems. II. Mechanisms for noise-induced transitions
E. Celarier; R. Kapral. The Journal of Chemical Physics, 86, 3366-3372 (1987).
Domain growth and nucleation in a discrete bistable system
G.L. Oppo; R. Kapral. Physical Review A, 36, 5820-5831 (1987).
Competition between stable states in spatially-distributed systems
R. Kapral; G.L. Oppo. Physica D: Nonlinear Phenomena, 23, 455-463 (1986).
Discrete models for the formation and evolution of spatial structure in dissipative systems
G.L. Oppo; R. Kapral. Physical Review A, 33, 4219-4231 (1986).
Ring dynamics and percolation in an excitable medium
S. Fraser; R. Kapral. The Journal of Chemical Physics, 85, 5682-5688 (1986).
Analysis of a delay-differential equation in optical bistability
P. Nardone; P. Mandel; R. Kapral. Physical Review A, 33, 2465-2471 (1986).
Aggregation at a surface: Crossover behaviour in a biased diffusion model
R. Kapral; S.G. Whittington; C. Desai. Journal of Physics A: Mathematical and General, 19, 1727-1734 (1986).
Noisy delay-differential equations in optical bistability
R. Kapral; E. Celarier; P. Mandel; P. Nardone. Proceedings of SPIE - The International Society for Optical Engineering, 667, 175-182 (1986).
Reversible dynamics and the macroscopic rate law for a solvable Kolmogorov system: The three bakers' reaction
Y. Elskens; R. Kapral. Journal of Statistical Physics, 38, 1027-1049 (1985).
Pattern formation in two-dimensional arrays of coupled, discrete-time oscillators
R. Kapral. Physical Review A, 31, 3868-3879 (1985).
Mass and dimension of Feigenbaum attractors
S. Fraser; R. Kapral. Physical Review A, 31, 1687-1694 (1985).
Bifurcation structure of the nonautonomous quadratic map
R. Kapral; P. Mandel. Physical Review A, 32, 1076-1081 (1985).
Universal vector scaling in one-dimensional maps
S. Fraser; R. Kapral. Physical Review A, 30, 1017-1025 (1984).
Bistable oscillating states in dissipative dynamical systems: Scaling properties and one-dimensional maps
R. Kapral; S. Fraser. Journal of Physical Chemistry, 88, 4845-4852 (1984).
Spatial and temporal structure in systems of coupled nonlinear oscillators
I. Waller; R. Kapral. Physical Review A, 30, 2047-2055 (1984).
Synchronization and chaos in coupled nonlinear oscillators
I. Waller; R. Kapral. Physics Letters A, 105, 163-168 (1984).
Bifurcation phenomena near homoclinic systems: A two-parameter analysis
P. Gaspard; R. Kapral; G. Nicolis. Journal of Statistical Physics, 35, 697-727 (1984).
Stochastic dynamics of the cubic map: A study of noise-induced transition phenomena
S. Fraser; E. Celarier; R. Kapral. Journal of Statistical Physics, 33, 341-370 (1983).
Subharmonic and chaotic bifurcation structure in optical bistability
P. Mandel; R. Kapral. Optics Communications, 47, 151-156 (1983).
A one-dimensional-map model for noise-induced transitions between bistable states
E.A. Celarier; S. Fraser; R. Kapral. Physics Letters A, 94, 247-250 (1983).
The effective reaction rate and diffusion coefficients for a two-phase medium
D. Bedeaux; R. Kapral. The Journal of Chemical Physics, 79, 1783-1788 (1983).
Subharmonic bifurcation in the sine map: An infinite hierarchy of cusp bistabilities
M. Schell; S. Fraser; R. Kapral. Physical Review A, 28, 373-378 (1983).
Analysis of flow hysteresis by a one-dimensional map
S. Fraser; R. Kapral. Physical Review A, 25, 3223-3233 (1982).
Chaos and fluctuations in nonlinear dissipative systems
R. Kapral; M. Schell; S. Fraser. Journal of Physical Chemistry, 86, 2205-2217 (1982).
Diffusive dynamics in systems with translational symmetry: A one-dimensional-map model
M. Schell; S. Fraser; R. Kapral. Physical Review A, 26, 504-521 (1982).
Kinetic energy relaxation of a brownian particle
J.R. Lebenhaft; R. Kapral. Chemical Physics Letters, 85, 103-106 (1982).
Behavior of the Liapunov number near period three
S. Fraser; R. Kapral. Physical Review A, 25, 2827-2829 (1982).
Comparison of stochastic models for condensed-phase atomic recombination reactions
M. Schell; R. Kapral. Chemical Physics Letters, 81, 83-86 (1981).
Resonance model for chaos near period three
S. Fraser; R. Kapral. Physical Review A, 23, 3303-3315 (1981).
Translational and rotational friction in a rough sphere fluid
J.R. Lebenhaft; R. Kapral. The Journal of Chemical Physics, 74, 6888-6895 (1981).
Diffusion-influenced reactions and normal solutions of the Boltzmann equation
M. Schell; R. Kapral. The Journal of Chemical Physics, 75, 915-920 (1981).
Recombination kinetics: Langevin dynamics with a space dependent friction coefficient
M. Schell; R. Kapral; R.I. Cukier. The Journal of Chemical Physics, 75, 5879-5882 (1981).
Kinetic theory of the hydrodynamic interaction between two particles
R.I. Cukier; R. Kapral; J.R. Mehaffey. The Journal of Chemical Physics, 74, 2494-2504 (1981).
Microscopic theory of condensed phase chemical reactions. I. Pair phase space kinetic equation
R.I. Cukier; R. Kapral; J.R. Mehaffey; K.J. Shin. The Journal of Chemical Physics, 72, 1830-1843 (1980).
Microscopic theory of condensed phase chemical reactions. II. Configuration space equations
R.I. Cukier; R. Kapral; J.R. Mehaffey; K.J. Shin. The Journal of Chemical Physics, 72, 1844-1850 (1980).
On the microscopic origin of Stokes' law
R.I. Cukier; R. Kapral; J.R. Lebenhaft; J.R. Mehaffey. The Journal of Chemical Physics, 73, 5244-5253 (1980).
Effect of static correlations on the pair friction coefficient
R.I. Cukier; R. Kapral; J.R. Mehaffey. The Journal of Chemical Physics, 73, 5254-5258 (1980).
Stochastic trajectory simulation of iodine recombination in liquids
J.T. Hynes; R. Kapral; G.M. Torrie. The Journal of Chemical Physics, 72, 177-188 (1980).
Diffusion-controlled processes among partially absorbing stationary sinks
J.R. Lebenhaft; R. Kapral. Journal of Statistical Physics, 20, 25-56 (1979).
Generalized Langevin equation approach to reaction dynamics in liquids
R. Kapral; K.J. Shin. The Journal of Chemical Physics, 70, 5623-5634 (1979).
Kinetic energy relaxation of a test particle in a dense fluid
M. Pagitsas; J.T. Hynes; R. Kapral. The Journal of Chemical Physics, 71, 4492-4501 (1979).
Molecular theory of translational diffusion: Microscopic generalization of the normal velocity boundary condition
J.T. Hynes; R. Kapral; M. Weinberg. The Journal of Chemical Physics, 70, 1456-1466 (1979).
Kinetic theory of reactive pair dynamics in liquids
K.J. Shin; R. Kapral. The Journal of Chemical Physics, 69, 3685-3696 (1978).
Kinetic theory derivation of a pair configuration space diffusion equation
R.I. Cukier; J.R. Mehaffey; R. Kapral. The Journal of Chemical Physics, 69, 4962-4975 (1978).
Molecular rotation and reorientation: Microscopic and hydrodynamic contributions
J.T. Hynes; R. Kapral; M. Weinberg. The Journal of Chemical Physics, 69, 2725-2733 (1978).
The effective shear viscosity of a regular array of suspended spheres
R. Kapral; D. Bedeaux. Physica A: Statistical Mechanics and its Applications, 91, 590-602 (1978).
Self-diffusion in a Lennard-Jones fluid
R.C. Desai; R. Kapral. Physical Review A, 17, 477-479 (1978).
Kinetic theory of chemical reactions in liquids. II. Spatial nonequilibrium effects for a reversible reaction
M. Pagitsas; R. Kapral. The Journal of Chemical Physics, 69, 2811-2822 (1978).
The effective shear viscosity of a uniform suspension of spheres
D. Bedeaux; R. Kapral; P. Mazur. Physica A: Statistical Mechanics and its Applications, 88, 88-121 (1977).
Kinetic theory of chemical reactions in dense fluids
R. Kapral. The Journal of Chemical Physics, 68, 1903-1912 (1977).
A microscopic treatment of the friction tensor of a polymer in dilute solution
D. Ng; R. Kapral; S.G. Whittington. Journal of Physics A: General Physics, 10, 2171-2179 (1977).
Slip boundary condition and rough sphere angular velocity correlations
J.T. Hynes; R. Kapral; M. Weinberg. Chemical Physics Letters, 47, 575-577 (1977).
Slip boundary condition for rough sphere rotation
J.T. Hynes; R. Kapral; M. Weinberg. Chemical Physics Letters, 46, 463-466 (1977).
Dynamical correlations in rough sphere fluids
J.R. Mehaffey; R.C. Desai; R. Kapral. Chemical Physics Letters, 45, 322-325 (1977).
Rotational correlations in rough sphere fluids
R. Kapral; R.C. Desai. The Journal of Chemical Physics, 67, 5645-5654 (1977).
Microscopic boundary layer effects and rough sphere rotation
J.T. Hynes; R. Kapral; M. Weinberg. The Journal of Chemical Physics, 67, 3256-3267 (1977).
Particle rotation and translation in a fluid with spin
J.T. Hynes; R. Kapral; M. Weinberg. Physica A: Statistical Mechanics and its Applications, 87, 427-452 (1977).
Polymer dynamics in a binary critical mixture
C. Duzy; R. Kapral. The Journal of Chemical Physics, 66, 2887-2892 (1976).
Kinetic theory of rough sphere fluids: Linear and angular velocity correlation functions
J.R. Mehaffey; R.C. Desai; R. Kapral. The Journal of Chemical Physics, 66, 1665-1679 (1976).
Vertex corrections to the shear viscosity critical exponent
F. Garisto; R. Kapral. Physical Review A, 14, 884-885 (1976).
Extended calculations of the anomalous Rayleigh linewidth and shear viscosity
F. Garisto; R. Kapral. The Journal of Chemical Physics, 64, 3826-3832 (1976).
Long-time behavior of the angular-velocity correlation function
F. Garisto; R. Kapral. Physical Review A, 13, 1652-1653 (1976).
Mode coupling description of dynamics in dilute polymer solutions
R. Kapral; D. Ng; S.G. Whittington. The Journal of Chemical Physics, 64, 539-545 (1976).
Microscopic theory of brownian motion. II. Nonlinear Langevin equations
J.T. Hynes; R. Kapral; M. Weinberg. Physica A: Statistical Mechanics and its Applications, 81, 485-508 (1975).
Microscopic theory of brownian motion: Mori friction kernel and langevin-equation derivation
J.T. Hynes; R. Kapral; M. Weinberg. Physica A: Statistical Mechanics and its Applications, 80, 105-127 (1975).
Nonlinear momentum relaxation of an impurity in a harmonic chain
J.T. Hynes; R. Kapral; M. Weinberg. Journal of Statistical Physics, 13, 427-449 (1975).
Multimode contributions to the anomalous shear viscosity
F. Garisto; R. Kapral. The Journal of Chemical Physics, 63, 3560-3566 (1975).
Microscopic theory of brownian motion. III. The nonlinear Fokker-Planck equation
J.T. Hynes; R. Kapral; M. Weinberg. Physica A: Statistical Mechanics and its Applications, 81, 509-521 (1975).
Potential energy surface for the hydrogen molecule-helium system
C.W.Wilson Jr.; R. Kapral; G. Burns. Chemical Physics Letters, 24, 488-491 (1974).
Chemical relaxation in a radiation field
R. Kapral. The Journal of Chemical Physics, 61, 1723-1729 (1974).
Translational hydrodynamics for binary mixtures: Memory from internal molecular relaxation
R. Kapral; R.C. Desai. Chemical Physics, 3, 141-163 (1974).
Asymptotic behavior of orientation and angular-velocity correlation functions for a fluid of linear molecules
F. Garisto; R. Kapral. Physical Review A, 10, 309-318 (1974).
Nonlinear effects in diffusion processes
R. Kapral; M. Weinberg. Physical Review A, 9, 1676-1687 (1974).
Light-scattering experiments and generalized transport coefficients
M. Weinberg; R. Kapral; R.C. Desai. Physical Review A, 7, 1413-1419 (1973).
Magnetic field dependence of thermal correlations in molecular gases
J.R. Mehaffey; F. Garisto; R. Kapral; R.C. Desai. The Journal of Chemical Physics, , 4084-4091 (1973).
Concentration fluctuations in chemically reacting fluids
F. Garisto; R. Kapral. The Journal of Chemical Physics, , 3129-3138 (1973).
Nonlinear transport phenomena: Analysis in terms of density expansions
R. Kapral; M. Weinberg. Physical Review A, 8, 1008-1017 (1973).
Dissociation of vibrationally-rotationally excited i2 (B 3Π0u+ )
A. Gelb; R. Kapral; G. Burns. The Journal of Chemical Physics, , 2980-2985 (1973).
Rotational relaxation in the Ar-N2 system
A. Gelb; R. Kapral. Chemical Physics Letters, 17, 397-400 (1972).
Nonequilibrium effects in atomic recombination reactions
A. Gelb; R. Kapral; G. Burns. The Journal of Chemical Physics, 56, 4654-4658 (1972).
Nonequilibrium effects in atomic recombination reactions
A. Gelb; R. Kapral; G. Burns. The Journal of Chemical Physics, 56, 4651-4653 (1972).
Internal relaxation in chemically reacting fluids
R. Kapral. The Journal of Chemical Physics, 56, 1842-1847 (1972).
Translational hydrodynamics and light scattering from molecular fluids
R.C. Desai; R. Kapral. Physical Review A, 6, 2377-2390 (1972).
Rotational Relaxation in Dilute Gas Mixtures
A. Gelb; W. Wilson; R. Kapral; G. Burns. The Journal of Chemical Physics, 57, 3421-3426 (1972).
Time Correlation Functions for a Molecular Gas: Magnetic Field Effects
R. Kapral; R.C. Desai. Journal of Chemical Physics, 55, 1604-1612 (1971).
Continued-fraction description of collective motion in simple fluids
M. Weinberg; R. Kapral. Physical Review A, 4, 1127-1135 (1971).
Time Correlation Functions in a Binary Gas Mixture
R. Kapral; R.C. Desai. The Journal of Chemical Physics, 53, 3640-3649 (1970).
Nonequilibrium kinetics: Explicit time dependence of perturbed distribution functions and autocorrelation expressions
R. Kapral; S. Hudson; J. Ross. The Journal of Chemical Physics, 53, 4387-4393 (1970).
Light scattering from chemically reacting fluids: Coupled chemical reactions
M. Weinberg; R. Kapral. The Journal of Chemical Physics, 53, 4409-4413 (1970).
Molecular-orbital representation of repulsive potential surfaces: An analysis of the neon dihydride wavefunction
R. Kapral. The Journal of Chemical Physics, 46, 2317-2323 (1967).

Book Chapter

Active Particles Propelled by Chemical Reactions
M.J. Huang; J. Schofield; R. Kapral. Self-organized Motion: Physicochemical Design based on Nonlinear Dynamics, , 315-338 (2019).
Multiparticle collision dynamics: Simulation of complex systems on mesoscales
R. Kapral. Advances in Chemical Physics, 140, 89-146 (2008).
Molecular dynamics: An account of its evolution
R. Kapral; G. Ciccotti. Theory and Applications of Computational Chemistry: The First Fory Years, , 425-441 (2005).
Markov Chain Models for Spatially-Distributed Reacting Systems
R. Kapral; L. Schimansky-Geier; T. Poschel. Stochastic Dynamics, , 294-305 (1997).
Fluctuations and Chemical Waves in a Bistable Reacting System
K. Diemer; A. Lawniczak; R. Kapral; A. Lawniczak; R. Kapral. Pattern Formation and Lattice Gas Automata, , 79-97 (1996).
Lattice-Gas Cellular Automaton Model for One-Mode Lasers
X.G. Wu; R. Kapral; A. Lawniczak; R. Kapral. Pattern Formation and Lattice Gas Automata, 6, 249-260 (1996).
Transition Processes on Noise-Induced Fractal Sets
S.J. Fraser; R. Kapral; M.M. Novak. Fractal Reviews in the Natural and Applied Scienced, , 279-291 (1995).
Internal Noise, Oscillations, Chaos and Chemical Waves
R. Kapral; X.G. Wu; R. Kapral; K. Showalter. Chemical Waves and Patterns, , 609-634 (1995).
Noise-Induced Transitions and Chemical Rate Laws
R. Kapral. New Trends in Kramers' Reaction Rate Theory, , 107-141 (1995).
Phase Separation in Binary Clusters
A.S. Clarke; R. Kapral; B. Moore; G. Patey; X.G. Wu; J. Jortner; R. Levine; B. Pullman. Reaction Dynamics in Clusters and Condensed Phases, , 89-100 (1994).
Kinetic Theory of Chemical Reactions in Liquids
R. Kapral. Advances in Chemical Physics, 48, 71-181 (1981).

Book

Dynamics of self-organized and self-assembled structures
R. Desai; R. Kapral. Dynamics of Self-Organized and Self-Assembled Structures, , 1-328 (2009).
Pattern Formation and Lattice gas Automata
A.T. Lawniczak; R. Kapral. Fields Institute communications, , (1996).
Chemical Waves and Patterns
R. Kapral; K. Showalter. Understanding Chemical Reactivity, , (1995).