Nancy Makri
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Greek physicist
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Nancy Makrichemistry Degrees
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Chemistry Physics
Why Is Nancy Makri Influential?
(Suggest an Edit or Addition)According to Wikipedia, Nancy Makri is the Edward William and Jane Marr Gutgsell Endowed Professor of Chemistry and Physics at the University of Illinois Urbana–Champaign, where she is the principal investigator of the Makri Research Group for the theoretical understanding of condensed phase quantum dynamics. She studies theoretical quantum dynamics of polyatomic systems, and has developed methods for long-time numerical path integral simulations of quantum dissipative systems.
Nancy Makri's Published Works
Published Works
- TENSOR PROPAGATOR FOR ITERATIVE QUANTUM TIME EVOLUTION OF REDUCED DENSITY MATRICES. I: THEORY (1995) (416)
- Tensor propagator for iterative quantum time evolution of reduced density matrices. II. Numerical methodology (1995) (353)
- Numerical path integral techniques for long time dynamics of quantum dissipative systems (1995) (251)
- Quantum rates for a double well coupled to a dissipative bath: Accurate path integral results and comparison with approximate theories (1994) (240)
- Time‐dependent self‐consistent field (TDSCF) approximation for a reaction coordinate coupled to a harmonic bath: Single and multiple configuration treatments (1987) (232)
- Path integrals for dissipative systems by tensor multiplication. Condensed phase quantum dynamics for arbitrarily long time (1994) (230)
- Time-dependent quantum methods for large systems. (1999) (196)
- The Linear Response Approximation and Its Lowest Order Corrections: An Influence Functional Approach (1999) (172)
- A semiclassical tunneling model for use in classical trajectory simulations (1989) (171)
- Semiclassical influence functionals for quantum systems in anharmonic environments 1 Presented at th (1998) (148)
- Influence functionals with semiclassical propagators in combined forward-backward time (1999) (147)
- Monte carlo integration with oscillatory integrands: implications for feynman path integration in real time (1987) (140)
- Improved Feynman propagators on a grid and non-adiabatic corrections within the path integral framework (1992) (126)
- Quantum Dissipative Dynamics: A Numerically Exact Methodology (1998) (122)
- Forward−Backward Semiclassical Dynamics without Prefactors (1999) (116)
- Feynman path integration in quantum dynamics (1991) (113)
- Monte Carlo path integration for the real time propagator (1988) (103)
- Exponential power series expansion for the quantum time evolution operator (1989) (102)
- Rigorous forward-backward semiclassical formulation of many-body dynamics. (1999) (84)
- Forward−Backward Semiclassical Dynamics with Linear Scaling (1999) (82)
- Filtered propagator functional for iterative dynamics of quantum dissipative systems (1997) (81)
- Forward-backward semiclassical dynamics for quantum fluids using pair propagators: Application to liquid para-hydrogen (2003) (81)
- Long-time quantum simulation of the primary charge separation in bacterial photosynthesis. (1996) (78)
- Basis set methods for describing the quantum mechanics of a ‘‘system’’ interacting with a harmonic bath (1987) (76)
- Path Integral Simulation of Charge Transfer Dynamics in Photosynthetic Reaction Centers (1997) (74)
- Path Integral Calculation of Quantum Nonadiabatic Rates in Model Condensed Phase Reactions (1996) (61)
- Multidimensional path integral calculations with quasiadiabatic propagators : quantum dynamics of vibrational relaxation in linear hydrocarbon chains (1992) (58)
- Iterative path integral formulation of equilibrium correlation functions for quantum dissipative systems (2002) (57)
- Forward-backward semiclassical dynamics for condensed phase time correlation functions (2003) (55)
- System-specific discrete variable representations for path integral calculations with quasi-adiabatic propagators (1993) (54)
- Correct short time propagator for Feynman path integration by power series expansion in Δt (1988) (53)
- Quasi-adiabatic propagator path integral methods. Exact quantum rate constants for condensed phase reactions (1993) (53)
- Simulation of dynamical properties of normal and superfluid helium. (2005) (52)
- Quantum-classical path integral. I. Classical memory and weak quantum nonlocality. (2012) (52)
- TENSOR PROPAGATOR WITH WEIGHT-SELECTED PATHS FOR QUANTUM DISSIPATIVE DYNAMICS WITH LONG-MEMORY KERNELS (1996) (51)
- Quantum‐classical path integral: A rigorous approach to condensed phase dynamics (2015) (51)
- Forward−Backward Semiclassical Calculation of Spectral Line Shapes: I2 in a Rare Gas Cluster (1999) (50)
- Quantum-classical path integral. II. Numerical methodology. (2012) (48)
- Blip decomposition of the path integral: exponential acceleration of real-time calculations on quantum dissipative systems. (2014) (47)
- Coherent state semiclassical initial value representation for the Boltzmann operator in thermal correlation functions (2002) (45)
- Quantum dynamics in simple fluids. (2004) (43)
- ITERATIVE EVALUATION OF THE PATH INTEGRAL FOR A SYSTEM COUPLED TO AN ANHARMONIC BATH (1999) (43)
- Quantum-Classical Path Integral Simulation of Ferrocene-Ferrocenium Charge Transfer in Liquid Hexane. (2015) (42)
- Memory propagator matrix for long-time dissipative charge transfer dynamics (2012) (40)
- On smooth Feynman propagators for real time path integrals (1993) (39)
- Small matrix disentanglement of the path integral: Overcoming the exponential tensor scaling with memory length. (2020) (38)
- Iterative path integral calculation of quantum correlation functions for dissipative systems (2001) (38)
- Effective non-oscillatory propagator for Feynman path integration in real time (1989) (37)
- Small Matrix Path Integral for System-Bath Dynamics. (2020) (36)
- Finite Temperature Correlation Functions via Forward-Backward Semiclassical Dynamics † (2001) (36)
- Time-dependent discrete variable representations for quantum wave packet propagation (1995) (35)
- Stabilization of localized states in dissipative tunneling systems interacting with monochromatic fields (1997) (34)
- Exploiting classical decoherence in dissipative quantum dynamics: Memory, phonon emission, and the blip sum (2014) (34)
- Iterative blip-summed path integral for quantum dynamics in strongly dissipative environments. (2017) (34)
- Short-Range Coherence in the Energy Transfer of Photosynthetic Light-Harvesting Systems (1999) (34)
- Forward-Backward Quantum Dynamics for Time Correlation Functions (2004) (33)
- Monte Carlo Bohmian Dynamics from Trajectory Stability Properties (2004) (33)
- Iterative quantum-classical path integral with dynamically consistent state hopping. (2016) (32)
- FORWARD-BACKWARD SEMICLASSICAL SIMULATION OF DYNAMICAL PROCESSES IN LIQUIDS (2004) (32)
- Modular path integral methodology for real-time quantum dynamics. (2018) (31)
- Phase space features and statistical aspects of forward - Backward semiclassical dynamics (2004) (31)
- Path Integral Methods (2002) (30)
- Monte Carlo Evaluation of Forward−Backward Semiclassical Correlation Functions with a Quantized Coherent State Density (2002) (29)
- Dissipative tunneling in a bath of two-level systems (1999) (29)
- Electronic structure and the mechanism of autoionization for doubly excited states (1986) (28)
- Bohmian versus semiclassical description of interference phenomena (2003) (28)
- Real time path integral methods for a system coupled to an anharmonic bath (1994) (27)
- Quantum-classical path integral with self-consistent solvent-driven reference propagators. (2013) (27)
- Forward–backward semiclassical dynamics in the interaction representation (2000) (27)
- Communication: Modular path integral: Quantum dynamics via sequential necklace linking. (2018) (26)
- Time-dependent self-consistent field approximation with explicit two-body correlations (1990) (26)
- Long-time behaviour of quantized distributions in forward–backward semiclassical dynamics (2006) (25)
- Iterative Monte Carlo for quantum dynamics. (2008) (24)
- Forward-backward semiclassical dynamics for systems of indistinguishable particles (2004) (24)
- Symmetries and detailed balance in forward–backward semiclassical dynamics (2006) (24)
- Path integral renormalization for quantum dissipative dynamics with multiple timescales (2012) (24)
- Direct determination of discrete harmonic bath parameters from molecular dynamics simulations (2017) (23)
- Accurate quantum mechanical calculation of thermally averaged reaction rate constants for polyatomic systems (1991) (23)
- Forward-backward semiclassical and quantum trajectory methods for time correlation functions. (2011) (21)
- Symmetrized correlation function for liquid para-hydrogen using complex-time pair-product propagators. (2006) (21)
- Dynamics of reduced density matrices: Classical memory versus quantum nonlocality (1998) (20)
- Real-Time Path Integral Simulation of Exciton-Vibration Dynamics in Light-Harvesting Bacteriochlorophyll Aggregates. (2020) (19)
- Multitime response functions and nonlinear spectra for model quantum dissipative systems. (2010) (19)
- All-Mode Quantum-Classical Path Integral Simulation of Bacteriochlorophyll Dimer Exciton-Vibration Dynamics. (2020) (18)
- Small Matrix Path Integral with Extended Memory. (2020) (18)
- PATH INTEGRAL STUDY OF HYDROGEN AND DEUTERIUM DIFFUSION IN CRYSTALLINE SILICON (1998) (17)
- Direct Computation of Influence Functional Coefficients from Numerical Correlation Functions. (2016) (17)
- Universal delocalization rate in driven dissipative two-level systems at high temperature (1997) (17)
- Wigner phase space distribution via classical adiabatic switching. (2015) (17)
- Forward--backward semiclassical dynamics with information-guided noise reduction for a molecule in solution. (2007) (16)
- Tunneling, decoherence, and entanglement of two spins interacting with a dissipative bath. (2013) (15)
- Modular path integral for discrete systems with non-diagonal couplings. (2019) (15)
- Non-equilibrium reactive flux: A unified framework for slow and fast reaction kinetics. (2017) (14)
- Quasiclassical dynamics methods from semiclassical approximations (2002) (14)
- Quantum stochastic resonance in the strong-field limit (6 pages) (2004) (14)
- Effects of periodic driving on asymmetric two-level systems coupled to dissipative environments (1998) (14)
- Intramolecular Vibrations in Excitation Energy Transfer: Insights from Real-Time Path Integral Calculations. (2022) (14)
- On iterative path integral calculations for a system interacting with a shifted dissipative bath. (2015) (13)
- Non-adiabatic reactions: general discussion. (2016) (12)
- Forward–backward semiclassical dynamics with single-bead coherent state density (2008) (12)
- Information guided noise reduction for Monte Carlo integration of oscillatory functions (2004) (11)
- Complex-time velocity autocorrelation functions for Lennard-Jones fluids with quantum pair-product propagators. (2008) (11)
- Blip-summed quantum-classical path integral with cumulative quantum memory. (2016) (11)
- Wigner Distribution by Adiabatic Switching in Normal Mode or Cartesian Coordinates and Molecular Applications. (2018) (11)
- Real-Time Path Integral Methods, Quantum Master Equations, and Classical vs. Quantum Memory. (2019) (10)
- Iterative Monte Carlo with bead-adapted sampling for complex-time correlation functions. (2010) (10)
- Optimized Monte Carlo sampling in forward–backward semiclassical dynamics (2007) (10)
- Mixed quantum and forward-backward semiclassical dynamics. (2009) (10)
- Exciton–Vibration Dynamics in J-Aggregates of a Perylene Bisimide from Real-Time Path Integral Calculations (2020) (9)
- Iterative Monte Carlo path integral with optimal grids from whole-necklace sampling. (2010) (9)
- Modular path integral for finite-temperature dynamics of extended systems with intramolecular vibrations. (2020) (9)
- Optimizing terahertz emission from double quantum wells (2004) (8)
- Efficient matrix factorisation of the modular path integral for extended systems (2020) (8)
- Quantum-classical path integral with a harmonic treatment of the back-reaction. (2019) (8)
- Wavefunctions and autoionisation of doubly excited states in momentum space (1987) (7)
- Small Matrix Path Integral for Driven Dissipative Dynamics. (2021) (7)
- Origin of vibrational features in the excitation energy transfer dynamics of perylene bisimide J-aggregates. (2021) (7)
- B800-to-B850 relaxation of excitation energy in bacterial light harvesting: All-state, all-mode path integral simulations. (2022) (7)
- Quantum State-to-State Rates for Multistate Processes from Coherences. (2022) (7)
- Recovery of Purity in Dissipative Tunneling Dynamics. (2020) (7)
- Synthetic Control of Exciton Dynamics in Bioinspired Cofacial Porphyrin Dimers (2022) (6)
- Influence functional from a bath of coupled time-dependent harmonic oscillators (1999) (6)
- Time-Evolving Quantum Superpositions in Open Systems and the Rich Content of Coherence Maps. (2022) (6)
- Time Evolution of Bath Properties in Spin-Boson Dynamics. (2021) (6)
- Low-temperature correlation functions via forward–backward quantum dynamics (2010) (5)
- Iterative Monte Carlo formulation of real-time correlation functions. (2010) (5)
- Small matrix modular path integral: iterative quantum dynamics in space and time. (2021) (5)
- Small Matrix Decomposition of Feynman Path Amplitudes. (2021) (5)
- Coherent State-Based Path Integral Methodology for Computing the Wigner Phase Space Distribution. (2019) (5)
- Quantum‐classical path integral evaluation of reaction rates with a near‐equilibrium flux formulation (2021) (5)
- Excitation Energy Transfer in Bias-Free Dendrimers: Eigenstate Structure, Thermodynamics, and Quantum Evolution (2022) (4)
- Tight inner ring architecture and quantum motion of nuclei enable efficient energy transfer in bacterial light harvesting (2022) (4)
- Semiclassical time evolution in the forward-backward stationary-phase limit (2002) (4)
- Time-dependent calculation of thermally averaged reaction rate constants: dynamical displacement operator treatment (1991) (4)
- Franck-Condon and Herzberg-Teller Signatures in Molecular Absorption and Emission Spectra. (2022) (3)
- Comment on: A corrected exponential power series expansion of the position matrix elements of the time evolution operator for a system in the presence of a vector potential (1991) (3)
- Density matrix and purity evolution in dissipative two-level systems: II. Relaxation. (2021) (3)
- Equilibrium and Dynamical Path Integral Methods in Bacterial Photosynthesis (2008) (3)
- Path Integral Simulation of Long-Time Dynamics in Quantum Dissipative Systems (1997) (3)
- Forward-Backward Semiclassical Dynamics (2001) (3)
- Application to large systems: general discussion. (2016) (2)
- Direct Monte Carlo evaluation of real-time quantum correlation functions using single-step propagators (2009) (2)
- Fundamentals: general discussion. (2016) (2)
- Real Time Path Integrals with Quasi-Adiabatic Propagators: Quantum Dynamics of a System Coupled to a Harmonic Bath (1992) (2)
- New methods: general discussion. (2016) (2)
- Quasiclassical Correlation Functions from the Wigner Density Using the Stability Matrix (2019) (2)
- Electronic-vibrational density evolution in a perylene bisimide dimer: mechanistic insights into excitation energy transfer. (2021) (2)
- Erratum: “Path integral study of hydrogen and deuterium diffusion in crystalline silicon” [J. Chem. Phys. 108, 6819 (1998)] (1999) (2)
- Time correlation functions via forward-backward quantum dynamics using Hamilton's law of varying action. (2009) (2)
- Interference between Franck–Condon and Herzberg–Teller Terms in the Condensed-Phase Molecular Spectra of Metal-Based Tetrapyrrole Derivatives (2022) (1)
- On the Dissipative Properties of Coherent Radiation (2000) (1)
- LISTENING EYE (2012) (1)
- Quantum quench and coherent-incoherent dynamics of Ising chains interacting with dissipative baths. (2021) (1)
- Electronic frustration, Berry’s phase interference and slow dynamics in some tight-binding systems coupled to harmonic baths (2023) (1)
- Numerical Evidence of Small Coherent Subsystems at Low Temperatures in Light Harvesting Complex II (2008) (1)
- Some New Theoretical Methods for Treating Reaction Dynamics in Polyatomic Molecular Systems (1991) (1)
- Effects of frequency variation in modes orthogonal to the reaction path on condensed phase rate constants (1999) (1)
- Information-Guided Noise Reduction in Forward-Backward Semiclassical Dynamics. (2011) (1)
- Quantum-Classical Path Integral Simulation of Excess Proton Dynamics in a Water Dimer Embedded in the Gramicidin Channel. (2021) (1)
- Small Matrix Quantum-Classical Path Integral. (2022) (1)
- Dynamics of Quantum Fluids: Path integral and Semiclassical Methods (2008) (0)
- Density matrix and purity evolution in dissipative two-level systems: I. Theory and path integral results for tunneling dynamics. (2021) (0)
- Nonlinear Response Functions in Model Dissipative Anharmonic Systems (2009) (0)
- Real-Time Path Integral Study of Electron Transport in Molecular Wires: A Constant Current Formulation and the Importance of Dissipative Processes (2009) (0)
- Optimizing terahertz emission from double quantum wells q (2003) (0)
- Introduction (2012) (0)
- Coherence Maps and Flow of Excitation Energy in the Bacterial Light Harvesting Complex 2. (2023) (0)
- Topological aspects of system-bath Hamiltonians and a vector model for multisite systems coupled to local, correlated, or common baths. (2023) (0)
- Quantum dynamics of large systems (2000) (0)
- Decoherence and entanglement of a pair of coupled qubits (2011) (0)
- LOCALIZATION IN DISSIPATIVE TUNNELING SYSTEMS DRIVEN BY MONOCHROMATIC LIGHT (2000) (0)
- Theoretical Methods for the Study of Chemical Dynamics (1989) (0)
- Comment on “ Monte Carlo Evaluation of Real-Time Feynman Path Integrals for Quantal Many-Body Dynamics : Distributed Approximating Functions and Gaussian Sampling ” (2001) (0)
- Tunneling in the condensed phase: barrier crossing and dynamical control (1998) (0)
- Simulating Nuclear Dynamics with Quantum Effects (2023) (0)
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