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Makri Group

Quantum Dynamics of Condensed Phase Processes

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Research

  • Real-time path integral methods
    • The QuAPI method for system-bath dynamics
    • Small-matrix path integral (SMatPI) decomposition
    • The blip decomposition
    • Path integral methods for anharmonic environments
    • Quantum-semiclassical dynamics
    • Quantum-classical path integral
    • The modular path integral
  • Nonadiabatic dynamics: signatures of regular and chaotic motion
  • Excitation energy transfer in molecular aggregates
    • Coherence maps reveal the state-to-state pathways of energy flow in LH2
    • B800-B850 energy transfer in the LH2 complex
    • Exciton relaxation dynamics in the LH2 complex
    • Excitation energy dynamics in BChl aggregates
    • Exciton-vibration dynamics in aggregates of perylene bisimide
  •  The equivalent harmonic bath
    • Gaussian response: A path integral derivation
    • Harmonic bath discretization
    • Influence functional coefficients
  • Forward-backward semiclassical dynamics
  • The Wigner density
  • Reaction Rates
    • Reaction rates for a double well coupled to a dissipative bath
    • Nonadiabatic reaction rates
    • Hydrogen diffusion in silicon
    • Non-equilibrium reactive flux formulation
  • Electron transfer in solution
  • Photosynthetic charge separation
  • Quantum fluids
    • Supercritical argon
    • Neon near its triple point
    • Liquid p-hydrogen
    • 2-dimensional Bose gas
    • Normal and superfluid helium
  • Tunneling control

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