Lista de obras - Nancy Makri - Dominio Público Uruguay

All-Mode Quantum-Classical Path Integral Simulation of Bacteriochlorophyll Dimer Exciton-Vibration Dynamics

artículo científico publicado en 2020

Application to large systems: general discussion

artículo científico publicado en 2016

B800-to-B850 relaxation of excitation energy in bacterial light harvesting: All-state, all-mode path integral simulations

artículo científico publicado en 2022

Blip decomposition of the path integral: exponential acceleration of real-time calculations on quantum dissipative systems

artículo científico publicado en 2014

Blip-summed quantum-classical path integral with cumulative quantum memory

artículo científico publicado en 2016

Bohm's formulation in imaginary time: estimation of energy eigenvalues

Coherent State-Based Path Integral Methodology for Computing the Wigner Phase Space Distribution

scientific article published on 02 May 2019

Communication: Modular path integral: Quantum dynamics via sequential necklace linking

artículo científico publicado en 2018

Complex-time velocity autocorrelation functions for Lennard-Jones fluids with quantum pair-product propagators

scientific article published on 01 May 2008

Direct Computation of Influence Functional Coefficients from Numerical Correlation Functions

artículo científico publicado en 2016

Direct determination of discrete harmonic bath parameters from molecular dynamics simulations

artículo científico publicado en 2016

Forward--backward semiclassical dynamics with information-guided noise reduction for a molecule in solution

scientific article published on 20 July 2007

Forward–backward semiclassical and quantum trajectory methods for time correlation functions ⬇️

artículo científico publicado el 7 de julio de 2011

Fundamentals: general discussion

artículo científico publicado en 2016

Information-Guided Noise Reduction in Forward-Backward Semiclassical Dynamics

scientific article published on 13 December 2010

Iterative Monte Carlo for quantum dynamics

scientific article published on 01 October 2008

Iterative Monte Carlo formulation of real-time correlation functions ⬇️

artículo científico publicado el 28 de octubre de 2010

Iterative Monte Carlo path integral with optimal grids from whole-necklace sampling ⬇️

artículo científico publicado el 21 de septiembre de 2010

Iterative Monte Carlo with bead-adapted sampling for complex-time correlation functions

artículo científico publicado en 2010

Iterative blip-summed path integral for quantum dynamics in strongly dissipative environments

artículo científico publicado en 2017

Iterative quantum-classical path integral with dynamically consistent state hopping

artículo científico publicado en 2016

Mixed quantum and forward-backward semiclassical dynamics

artículo científico publicado en 2009

Modular path integral for discrete systems with non-diagonal couplings

artículo científico publicado en 2019

Modular path integral for finite-temperature dynamics of extended systems with intramolecular vibrations

artículo científico publicado en 2020

Modular path integral methodology for real-time quantum dynamics

scientific article published on 01 December 2018

Monte Carlo Bohmian Dynamics from Trajectory Stability Properties

article

Multitime response functions and nonlinear spectra for model quantum dissipative systems

artículo científico publicado en 2010

New methods: general discussion.

artículo científico publicado en 2016

Non-adiabatic reactions: general discussion

artículo científico publicado en 2016

Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics

artículo científico publicado en 2017

On iterative path integral calculations for a system interacting with a shifted dissipative bath

artículo científico publicado en 2015

Optimized Monte Carlo sampling in forward-backward semiclassical dynamics

scientific article published on 01 March 2007

Quantum-Classical Path Integral Simulation of Ferrocene-Ferrocenium Charge Transfer in Liquid Hexane

artículo científico publicado en 2015

Quantum-classical path integral with a harmonic treatment of the back-reaction

scientific article published on 01 May 2019

Quantum-classical path integral with self-consistent solvent-driven reference propagators

artículo científico publicado en 2013

Quantum-classical path integral. I. Classical memory and weak quantum nonlocality ⬇️

artículo científico publicado el 14 de diciembre de 2012

Quantum-classical path integral. II. Numerical methodology ⬇️

artículo científico publicado el 14 de diciembre de 2012

Quantum–Classical Path Integral Simulation of Excess Proton Dynamics in a Water Dimer Embedded in the Gramicidin Channel

artículo científico publicado en 2021

Quasiclassical Correlation Functions from the Wigner Density Using the Stability Matrix

artículo científico publicado en 2019

Real-Time Path Integral Methods, Quantum Master Equations, and Classical vs Quantum Memory

scientific article published on 02 December 2019

Real-Time Path Integral Simulation of Exciton-Vibration Dynamics in Light-Harvesting Bacteriochlorophyll Aggregates

scientific article published on 01 October 2020

Recovery of Purity in Dissipative Tunneling Dynamics

scientific article published on 25 September 2020

Simulation of dynamical properties of normal and superfluid helium.

artículo científico publicado en 2005

Small Matrix Decomposition of Feynman Path Amplitudes

scientific article published on 03 June 2021

Small Matrix Path Integral for System-Bath Dynamics

artículo científico publicado en 2020

Small matrix disentanglement of the path integral: Overcoming the exponential tensor scaling with memory length

artículo científico publicado en 2020

Symmetries and detailed balance in forward–backward semiclassical dynamics

article

Symmetrized correlation function for liquid para-hydrogen using complex-time pair-product propagators

artículo científico publicado en 2006

Time correlation functions via forward-backward quantum dynamics using Hamilton's law of varying action

artículo científico publicado en 2009

Tunneling, decoherence, and entanglement of two spins interacting with a dissipative bath ⬇️

artículo científico publicado el 21 de marzo de 2013

Wigner Distribution by Adiabatic Switching in Normal Mode or Cartesian Coordinates and Molecular Applications

article

Wigner phase space distribution via classical adiabatic switching

artículo científico publicado en 2015

Lista de obras de Nancy Makri

All-Mode Quantum-Classical Path Integral Simulation of Bacteriochlorophyll Dimer Exciton-Vibration Dynamics

Application to large systems: general discussion

B800-to-B850 relaxation of excitation energy in bacterial light harvesting: All-state, all-mode path integral simulations

Blip decomposition of the path integral: exponential acceleration of real-time calculations on quantum dissipative systems

Blip-summed quantum-classical path integral with cumulative quantum memory

Bohm's formulation in imaginary time: estimation of energy eigenvalues

Coherent State-Based Path Integral Methodology for Computing the Wigner Phase Space Distribution

Communication: Modular path integral: Quantum dynamics via sequential necklace linking

Complex-time velocity autocorrelation functions for Lennard-Jones fluids with quantum pair-product propagators

Direct Computation of Influence Functional Coefficients from Numerical Correlation Functions

Direct determination of discrete harmonic bath parameters from molecular dynamics simulations

Forward--backward semiclassical dynamics with information-guided noise reduction for a molecule in solution

Forward–backward semiclassical and quantum trajectory methods for time correlation functions ⬇️

Fundamentals: general discussion

Information-Guided Noise Reduction in Forward-Backward Semiclassical Dynamics

Iterative Monte Carlo for quantum dynamics

Iterative Monte Carlo formulation of real-time correlation functions ⬇️

Iterative Monte Carlo path integral with optimal grids from whole-necklace sampling ⬇️

Iterative Monte Carlo with bead-adapted sampling for complex-time correlation functions

Iterative blip-summed path integral for quantum dynamics in strongly dissipative environments

Iterative quantum-classical path integral with dynamically consistent state hopping

Mixed quantum and forward-backward semiclassical dynamics

Modular path integral for discrete systems with non-diagonal couplings

Modular path integral for finite-temperature dynamics of extended systems with intramolecular vibrations

Modular path integral methodology for real-time quantum dynamics

Monte Carlo Bohmian Dynamics from Trajectory Stability Properties

Multitime response functions and nonlinear spectra for model quantum dissipative systems

New methods: general discussion.

Non-adiabatic reactions: general discussion

Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics

On iterative path integral calculations for a system interacting with a shifted dissipative bath

Optimized Monte Carlo sampling in forward-backward semiclassical dynamics

Quantum-Classical Path Integral Simulation of Ferrocene-Ferrocenium Charge Transfer in Liquid Hexane

Quantum-classical path integral with a harmonic treatment of the back-reaction

Quantum-classical path integral with self-consistent solvent-driven reference propagators

Quantum-classical path integral. I. Classical memory and weak quantum nonlocality ⬇️

Quantum-classical path integral. II. Numerical methodology ⬇️

Quantum–Classical Path Integral Simulation of Excess Proton Dynamics in a Water Dimer Embedded in the Gramicidin Channel

Quasiclassical Correlation Functions from the Wigner Density Using the Stability Matrix

Real-Time Path Integral Methods, Quantum Master Equations, and Classical vs Quantum Memory

Real-Time Path Integral Simulation of Exciton-Vibration Dynamics in Light-Harvesting Bacteriochlorophyll Aggregates

Recovery of Purity in Dissipative Tunneling Dynamics

Simulation of dynamical properties of normal and superfluid helium.

Small Matrix Decomposition of Feynman Path Amplitudes

Small Matrix Path Integral for System-Bath Dynamics

Small matrix disentanglement of the path integral: Overcoming the exponential tensor scaling with memory length

Symmetries and detailed balance in forward–backward semiclassical dynamics

Symmetrized correlation function for liquid para-hydrogen using complex-time pair-product propagators

Time correlation functions via forward-backward quantum dynamics using Hamilton's law of varying action

Tunneling, decoherence, and entanglement of two spins interacting with a dissipative bath ⬇️

Wigner Distribution by Adiabatic Switching in Normal Mode or Cartesian Coordinates and Molecular Applications

Wigner phase space distribution via classical adiabatic switching