Nancy Makri

Latest

• Quantum‐classical Path Integral Evaluation of Reaction Rates with a Near‐equilibrium Flux Formulation
• All-Mode Quantum–Classical Path Integral Simulation of Bacteriochlorophyll Dimer Exciton-Vibration Dynamics
• Coherent State-Based Path Integral Methodology for Computing the Wigner Phase Space Distribution
• Quasiclassical Correlation Functions from the Wigner Density Using the Stability Matrix
• Wigner Distribution by Adiabatic Switching in Normal Mode or Cartesian Coordinates and Molecular Applications
• Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics
• Wigner phase space distribution via classical adiabatic switching