Related references
Note: Only part of the references are listed.Charge transfer rate constants for the carotenoid-porphyrin-C60 molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation
Zhengqing Tong et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Polariton-Mediated Electron Transfer via Cavity Quantum Electrodynamics
Arkajit Mandal et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
Effective mass path integral simulations of quasiparticles in condensed phases
Richard C. Remsing et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Effect of many modes on self-polarization and photochemical suppression in cavities
Norah M. Hoffmann et al.
JOURNAL OF CHEMICAL PHYSICS (2020)
Photoinduced Charge Transfer Dynamics in the Carotenoid-Porphyrin-C60 Triad via the Linearized Semiclassical Nonequilibrium Fermi's Golden Rule
Zhubin Hu et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2020)
Polarized Fock States and the Dynamical Casimir Effect in Molecular Cavity Quantum Electrodynamics
Arkajit Mandal et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2020)
Ground state chemistry under vibrational strong coupling: dependence of thermodynamic parameters on the Rabi splitting energy
Anoop Thomas et al.
NANOPHOTONICS (2020)
A symmetrical quasi-classical windowing model for the molecular dynamics treatment of non-adiabatic processes involving many electronic states
Stephen J. Cotton et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Tilting a ground-state reactivity landscape by vibrational strong coupling
A. Thomas et al.
SCIENCE (2019)
Electron transfer in confined electromagnetic fields
Alexander Semenov et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
State dependent ring polymer molecular dynamics for investigating excited nonadiabatic dynamics
Sutirtha N. Chowdhury et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Resolution of gauge ambiguities in ultrastrong-coupling cavity quantum electrodynamics
Omar Di Stefano et al.
NATURE PHYSICS (2019)
Investigating New Reactivities Enabled by Polariton Photochemistry
Arkajit Mandal et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)
Tracking Polariton Relaxation with Multiscale Molecular Dynamics Simulations
Gerrit Groenhof et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2019)
Ultrafast dynamics in the vicinity of quantum light-induced conical intersections
Andras Csehi et al.
NEW JOURNAL OF PHYSICS (2019)
Resonant catalysis of thermally activated chemical reactions with vibrational polaritons
Jorge A. Campos-Gonzalez-Angulo et al.
NATURE COMMUNICATIONS (2019)
Benchmarking semiclassical and perturbative methods for real-time simulations of cavity-bound emission and interference
Norah M. Hoffmann et al.
JOURNAL OF CHEMICAL PHYSICS (2019)
Ultrastrong coupling between light and matter (vol 1, pg 19, 2019)
Anton Frisk Kockum et al.
NATURE REVIEWS PHYSICS (2019)
Polaritonic Chemistry with Organic Molecules
Johannes Feist et al.
ACS PHOTONICS (2018)
Coherent dynamics in cavity femtochemistry: Application of the multi-configuration time-dependent Hartree method
Oriol Vendrell
CHEMICAL PHYSICS (2018)
Ab Initio Nonadiabatic Quantum Molecular Dynamics
Basile F. E. Curchod et al.
CHEMICAL REVIEWS (2018)
A comparative study of different methods for calculating electronic transition rates
Alexei A. Kananenka et al.
JOURNAL OF CHEMICAL PHYSICS (2018)
Entangled Photonic-Nuclear Molecular Dynamics of LiF in Quantum Optical Cavities
Johan F. Triana et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2018)
Light-matter interaction in the long-wavelength limit: no ground-state without dipole self-energy
Vasil Rokaj et al.
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS (2018)
Fluctuating hydrogen-bond networks govern anomalous electron transfer kinetics in a blue copper protein
Joshua S. Kretchmer et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)
Coherent Light Harvesting through Strong Coupling to Confined Light
Gerrit Groenhof et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Conical Intersections Induced by Quantum Light: Field-Dressed Spectra from the Weak to the Ultrastrong Coupling Regimes
Tamas Szidarovszky et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2018)
Tensor Network Simulation of Non-Markovian Dynamics in Organic Polaritons
Javier del Pino et al.
PHYSICAL REVIEW LETTERS (2018)
Manipulating azobenzene photoisomerization through strong light-molecule coupling
J. Fregoni et al.
NATURE COMMUNICATIONS (2018)
A mapping variable ring polymer molecular dynamics study of condensed phase proton-coupled electron transfer
Sadrach Pierre et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Coherent state mapping ring polymer molecular dynamics for non-adiabatic quantum propagations
Sutirtha N. Chowdhury et al.
JOURNAL OF CHEMICAL PHYSICS (2017)
Enhancing Singlet Fission Dynamics by Suppressing Destructive Interference between Charge-Transfer Pathways
Maria A. Castellanos et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2017)
Origin of Reversible Photoinduced Phase Separation in Hybrid Perovskites
Connor G. Bischak et al.
NANO LETTERS (2017)
Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry
Johannes Flick et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2017)
An analysis of nonadiabatic ring-polymer molecular dynamics and its application to vibronic spectra
Jeremy O. Richardson et al.
CHEMICAL PHYSICS (2017)
Tipping the Balance between Concerted versus Sequential Proton-Coupled Electron Transfer
Joshua S. Kretchmer et al.
INORGANIC CHEMISTRY (2016)
Equilibrium Fermi's Golden Rule Charge Transfer Rate Constants in the Condensed Phase: The Linearized Semiclassical Method vs Classical Marcus Theory
Xiang Sun et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2016)
Hybrid Light-Matter States in a Molecular and Material Science Perspective
Thomas W. Ebbesen
ACCOUNTS OF CHEMICAL RESEARCH (2016)
Deriving the exact nonadiabatic quantum propagator in the mapping variable representation
Timothy J. H. Hele et al.
FARADAY DISCUSSIONS (2016)
Non-adiabatic dynamics of molecules in optical cavities
Markus Kowalewski et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Non-Condon equilibrium Fermi's golden rule electronic transition rate constants via the linearized semiclassical method
Xiang Sun et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Non-Condon nonequilibrium Fermi's golden rule rates from the linearized semiclassical method
Xiang Sun et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Exact vs. asymptotic spectral densities in the Garg-Onuchic-Ambegaokar charge transfer model and its effect on Fermi's golden rule rate constants
Xiang Sun et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Communication: Wigner functions in action-angle variables, Bohr-Sommerfeld quantization, the Heisenberg correspondence principle, and a symmetrical quasi-classical approach to the full electronic density matrix
William H. Miller et al.
JOURNAL OF CHEMICAL PHYSICS (2016)
Nonequilibrium Fermi's Golden Rule Charge Transfer Rates via the Linearized Semiclassical Method
Xiang Sun et al.
JOURNAL OF CHEMICAL THEORY AND COMPUTATION (2016)
Cavity Femtochemistry: Manipulating Nonadiabatic Dynamics at Avoided Crossings
Markus Kowalewski et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2016)
Multiple Rabi Splittings under Ultrastrong Vibrational Coupling
Jino George et al.
PHYSICAL REVIEW LETTERS (2016)
Deriving the exact nonadiabatic quantum propagator in the mapping variable representation
Timothy J. H. Hele et al.
FARADAY DISCUSSIONS (2016)
Quantum dynamics simulations using Gaussian wavepackets: the vMCG method
G. W. Richings et al.
INTERNATIONAL REVIEWS IN PHYSICAL CHEMISTRY (2015)
Surface hopping, transition state theory, and decoherence. II. Thermal rate constants and detailed balance
Amber Jain et al.
JOURNAL OF CHEMICAL PHYSICS (2015)
Simulating Excited State Dynamics in Systems with Multiple Avoided Crossings Using Mapping Variable Ring Polymer Molecular Dynamics
Jessica R. Duke et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)
Does Nonadiabatic Transition State Theory Make Sense Without Decoherence?
Amber Jain et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)
Intermolecular Vibrational Modes Speed Up Singlet Fission in Perylenediimide Crystals
Nicolas Renaud et al.
JOURNAL OF PHYSICAL CHEMISTRY LETTERS (2015)
Vibrational control of electron-transfer reactions: a feasibility study for the fast coherent transfer regime
P. Antoniou et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2015)
Kinetically constrained ring-polymer molecular dynamics for non-adiabatic chemical reactions
Artur R. Menzeleev et al.
JOURNAL OF CHEMICAL PHYSICS (2014)
Ring-Polymer Molecular Dynamics: Quantum Effects in Chemical Dynamics from Classical Trajectories in an Extended Phase Space
Scott Habershon et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 64 (2013)
Direct simulation of proton-coupled electron transfer across multiple regimes
Joshua S. Kretchmer et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Communication: Nonadiabatic ring-polymer molecular dynamics
Jeremy O. Richardson et al.
JOURNAL OF CHEMICAL PHYSICS (2013)
Mapping variable ring polymer molecular dynamics: A path-integral based method for nonadiabatic processes
Nandini Ananth
JOURNAL OF CHEMICAL PHYSICS (2013)
Calculation of Electron Transfer Rates Using Mixed Quantum Classical Approaches: Nonadiabatic Limit and Beyond
Weiwei Xie et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Modifying Chemical Landscapes by Coupling to Vacuum Fields
James A. Hutchison et al.
ANGEWANDTE CHEMIE-INTERNATIONAL EDITION (2012)
Proton-coupled electron transfer: classification scheme and guide to theoretical methods
Sharon Hammes-Schiffer
ENERGY & ENVIRONMENTAL SCIENCE (2012)
An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. I. Theories
Jian Liu et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Direct simulation of electron transfer using ring polymer molecular dynamics: Comparison with semiclassical instanton theory and exact quantum methods
Artur R. Menzeleev et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Dynamics and dissipation in enzyme catalysis
Nicholas Boekelheide et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2011)
Fluctuations in Biological and Bioinspired Electron-Transfer Reactions
Spiros S. Skourtis et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 61 (2010)
Theory of Coupled Electron and Proton Transfer Reactions
Sharon Hammes-Schiffer et al.
CHEMICAL REVIEWS (2010)
Ring polymer molecular dynamics beyond the linear response regime: Excess electron injection and trapping in liquids
Artur R. Menzeleev et al.
JOURNAL OF CHEMICAL PHYSICS (2010)
Enol Tautomers of Watson-Crick Base Pair Models Are Metastable Because of Nuclear Quantum Effects
Alejandro Perez et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2010)
Steering Electrons on Moving Pathways
David N. Beratan et al.
ACCOUNTS OF CHEMICAL RESEARCH (2009)
Elementary processes with two quantum transitions
Maria Goeppert-Mayer
ANNALEN DER PHYSIK (2009)
Zero point energy leakage in condensed phase dynamics: An assessment of quantum simulation methods for liquid water
Scott Habershon et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Quantum diffusion of hydrogen and muonium atoms in liquid water and hexagonal ice
Thomas E. Markland et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Proton transfer in a polar solvent from ring polymer reaction rate theory
Rosana Collepardo-Guevara et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Coupling coherence distinguishes structure sensitivity in protein electron transfer
Tatiana R. Prytkova et al.
SCIENCE (2007)
Quantum diffusion in liquid para-hydrogen from ring-polymer molecular dynamics
TF Miller et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Quantum statistics and classical mechanics: Real time correlation functions from ring polymer molecular dynamics
IR Craig et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
A rate constant expression for charge transfer through fluctuating bridges
A Troisi et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
A centroid molecular dynamics approach for nonadiabatic dynamical processes in condensed phases: The spin-boson case
JL Liao et al.
JOURNAL OF PHYSICAL CHEMISTRY B (2002)
Conformational gating of long distance electron transfer through wire-like bridges in donor-bridge-acceptor molecules
WB Davis et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2001)
Theoretical study of electron transfer between the photolyase catalytic cofactor FADH- and DNA thymine dimer
J Antony et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2000)