Eitan Geva

发表

The Effect of Interfacial Geometry on Charge-Transfer States in the Phthalocyanine/Fullerene Organic Photovoltaic System.

B. Dunietz, Myeong H Lee, Eitan Geva, 2016, The journal of physical chemistry. A.

Non-Condon nonequilibrium Fermi’s golden rule rates from the linearized semiclassical method

Eitan Geva, Xiang Sun, 2016 .

Non-Condon equilibrium Fermi's golden rule electronic transition rate constants via the linearized semiclassical method.

Eitan Geva, Xiang Sun, 2016, The Journal of chemical physics.

Nonequilibrium Fermi's Golden Rule Charge Transfer Rates via the Linearized Semiclassical Method.

Eitan Geva, Xiang Sun, 2016, Journal of chemical theory and computation.

Equilibrium Fermi's Golden Rule Charge Transfer Rate Constants in the Condensed Phase: The Linearized Semiclassical Method vs Classical Marcus Theory.

Eitan Geva, Xiang Sun, 2016, The journal of physical chemistry. A.

A comparative study of different methods for calculating electronic transition rates.

Alexei A Kananenka, B. Dunietz, Eitan Geva, 2018, The Journal of chemical physics.

A semiclassical generalized quantum master equation for an arbitrary system-bath coupling.

Qiang Shi, Eitan Geva, Qiang Shi, 2004, The Journal of chemical physics.

Molecular-Level Exploration of the Structure-Function Relations Underlying Interfacial Charge Transfer in the Subphthalocyanine/ C60 Organic Photovoltaic System

B. Dunietz, M. Cheung, Eitan Geva, 2020 .

Phosphorescence in Bromobenzaldehyde Can Be Enhanced through Intramolecular Heavy Atom Effect

Heidi P. Hendrickson, B. Dunietz, Heidi P Hendrickson, 2017 .

CTRAMER: An open-source software package for correlating interfacial charge transfer rate constants with donor/acceptor geometries in organic photovoltaic materials.

B. Dunietz, M. Cheung, Eitan Geva, 2021, The Journal of chemical physics.

Two-dimensional infrared spectroscopy of metal carbonyls.

Carlos R. Baiz, Eitan Geva, Jessica M. Anna, 2009, Accounts of chemical research.

On the classical limit of quantum thermodynamics in finite time

Ronnie Kosloff, Eitan Geva, R. Kosloff, 1992 .

Vibrational energy relaxation rate constants from linear response theory

Qiang Shi, Eitan Geva, 2003 .

Signature of nonadiabatic transitions on the pump-probe infrared spectra of a hydrogen-bonded complex dissolved in a polar solvent: a computational study.

G. Hanna, Eitan Geva, 2011, The journal of physical chemistry. B.

Computational study of the one and two dimensional infrared spectra of a vibrational mode strongly coupled to its environment: beyond the cumulant and condon approximations.

G. Hanna, Eitan Geva, 2008, The journal of physical chemistry. B.

Vibrational energy relaxation of a hydrogen-bonded complex dissolved in a polar liquid via the mixed quantum-classical Liouville method.

Gabriel Hanna, Eitan Geva, G. Hanna, 2008, The journal of physical chemistry. B.

Computational study of the signature of hydrogen-bond strength on the infrared spectra of a hydrogen-bonded complex dissolved in a polar liquid

G. Hanna, Eitan Geva, 2010 .

Signatures of nonequilibrium solvation dynamics on multidimensional spectra.

Qiang Shi, G. Hanna, Eitan Geva, 2009, Accounts of chemical research.

Vibrational lifetimes of cyanide ion in aqueous solution from molecular dynamics simulations: intermolecular vs intramolecular accepting modes.

Eitan Geva, S. Talapatra, 2014, The journal of physical chemistry. B.

Nonadiabatic Dynamics via the Symmetrical Quasi-Classical Method in the Presence of Anharmonicity.

Jianshu Cao, Chang-Yu Hsieh, Eitan Geva, 2018, The journal of physical chemistry letters.

Simulating energy transfer dynamics in the Fenna-Matthews-Olson complex via the modified generalized quantum master equation.

B. Dunietz, Eitan Geva, A. Schubert, 2021, The Journal of chemical physics.

Combining the mapping Hamiltonian linearized semiclassical approach with the generalized quantum master equation to simulate electronically nonadiabatic molecular dynamics.

B. Dunietz, Eitan Geva, A. Schubert, 2019, The Journal of chemical physics.

A comparison between different semiclassical approximations for optical response functions in nonpolar liquid solutions.

Qiang Shi, Eitan Geva, 2005, The Journal of chemical physics.

Orbital gap predictions for rational design of organic photovoltaic materials

B. Dunietz, Zilong Zheng, Eitan Geva, 2014 .

A Road Map to Various Pathways for Calculating the Memory Kernel of the Generalized Quantum Master Equation.

Eitan Geva, Ellen Mulvihill, 2021, The journal of physical chemistry. B.

Photoinduced Charge Transfer Dynamics in the Carotenoid-Porphyrin-C60 Triad via the Linearized Semiclassical Nonequilibrium Fermi's Golden Rule.

B. Dunietz, M. Cheung, Zhubin Hu, 2020, The journal of physical chemistry. B.

Efficient Charge Generation via Hole Transfer in Dilute Organic Donor-Fullerene Blends.

S. Forrest, B. Dunietz, J. Ogilvie, 2019, The journal of physical chemistry letters.

Explaining Spectral Asymmetries and Excitonic Characters of the Core Pigment Pairs in the Bacterial Reaction Center Using a Screened Range-Separated Hybrid Functional.

B. Dunietz, Eitan Geva, A. Schubert, 2019, The journal of physical chemistry. B.

Solvated Charge Transfer States of Functionalized Anthracene and Tetracyanoethylene Dimers: A Computational Study Based on a Range Separated Hybrid Functional and Charge Constrained Self-Consistent Field with Switching Gaussian Polarized Continuum Models.

Shaohui Zheng, B. Dunietz, Eitan Geva, 2013, Journal of chemical theory and computation.

Coherent Control of Population Transfer via Linear Chirp in Liquid Solution: The Role of Motional Narrowing.

Eitan Geva, Porscha L McRobbie, 2016, The journal of physical chemistry. A.

An Accurate Linearized Semiclassical Approach for Calculating Cavity-Modified Charge Transfer Rate Constants.

Maximilian A C Saller, Eitan Geva, Y. Lai, 2022, The journal of physical chemistry letters.

A mixed quantum-classical molecular dynamics study of anti-tetrol and syn-tetrol dissolved in liquid chloroform: hydrogen-bond structure and its signature on the infrared absorption spectrum.

K. Kwac, Eitan Geva, Kijeong Kwac, 2013, The journal of physical chemistry. B.

Simulation of open quantum system dynamics based on the generalized quantum master equation on quantum computing devices

U. Wisconsin-Madison, U. Michigan, A. Arbor, 2022 .

Exact vs. asymptotic spectral densities in the Garg-Onuchic-Ambegaokar charge transfer model and its effect on Fermi's golden rule rate constants.

Eitan Geva, Xiang Sun, 2016, The Journal of chemical physics.

Local-mode approach to modeling multidimensional infrared spectra of metal carbonyls.

Carlos R. Baiz, E. Sibert, Eitan Geva, 2011, The journal of physical chemistry. A.

Calculating Off-Site Excitations in Symmetric Donor-Acceptor Systems via Time-Dependent Density Functional Theory with Range-Separated Density Functionals.

B. Dunietz, Eitan Geva, Heidi Phillips, 2012, Journal of chemical theory and computation.

Molecular structure, spectroscopy, and photoinduced kinetics in trinuclear cyanide bridged complex in solution: a first-principles perspective.

Heidi P. Hendrickson, B. Dunietz, Heidi P Hendrickson, 2014, Journal of the American Chemical Society.

Simulating Absorption Spectra of Multi-Excitonic Systems via Quasiclassical Mapping Hamiltonian Methods.

Eitan Geva, Xing Gao, Y. Lai, 2020, Journal of chemical theory and computation.

A Nonperturbative Methodology for Simulating Multidimensional Spectra of Multiexcitonic Molecular Systems via Quasiclassical Mapping Hamiltonian Methods.

Eitan Geva, Xing Gao, 2020, Journal of chemical theory and computation.

Tensor-Train Thermo-Field Memory Kernels for Generalized Quantum Master Equations.

V. Batista, Micheline B Soley, Eitan Geva, 2022, Journal of chemical theory and computation.

Protein structure and dynamics from single-molecule fluorescence resonance energy transfer.

Eitan Geva, Dong Wang, 2005, The journal of physical chemistry. B.

A nonperturbative calculation of nonlinear spectroscopic signals in liquid solution.

Eitan Geva, Being J. Ka, 2006, The Journal of chemical physics.

Spectral Dynamics of Individual Molecules in Glasses and Crystals

J. Skinner, Eitan Geva, Philip D. Reilly, 1996 .

The entropic origin of solvent effects on the single bond cZt-tZt isomerization rate constant of 1,3,5-cis-hexatriene in alkane and alcohol solvents: a molecular dynamics study.

R. Sension, Eitan Geva, S. Talapatra, 2014, The journal of physical chemistry. B.

Solvation dynamics of formylperylene dissolved in methanol-acetonitrile liquid mixtures: a molecular dynamics study.

K. Kwac, Eitan Geva, Kijeong Kwac, 2013, The journal of physical chemistry. B.

A mixed quantum-classical molecular dynamics study of anti-tetrol and syn-tetrol dissolved in liquid chloroform II: infrared emission spectra, vibrational excited-state lifetimes, and nonequilibrium hydrogen-bond dynamics.

K. Kwac, Eitan Geva, Kijeong Kwac, 2013, The journal of physical chemistry. B.

A mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon tetrachloride mixtures III: nonequilibrium hydrogen-bond dynamics and infrared pump-probe spectra.

K. Kwac, Eitan Geva, Kijeong Kwac, 2013, The journal of physical chemistry. B.

Mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon-tetrachloride mixtures II: excited state hydrogen bonding structure and dynamics, infrared emission spectrum, and excited state lifetime.

K. Kwac, Eitan Geva, Kijeong Kwac, 2012, The journal of physical chemistry. B.

A mixed quantum-classical molecular dynamics study of the hydroxyl stretch in methanol/carbon tetrachloride mixtures: equilibrium hydrogen-bond structure and dynamics at the ground state and the infrared absorption spectrum.

K. Kwac, Eitan Geva, Kijeong Kwac, 2011, The journal of physical chemistry. B.

Ab initio study of the emissive charge-transfer states of solvated chromophore-functionalized silsesquioxanes.

Shaohui Zheng, B. Dunietz, Eitan Geva, 2012, Journal of the American Chemical Society.

Theory of photon echoes and hole burning in low temperature glasses: How good are the standard approximations?

J. Skinner, Eitan Geva, 1997 .

TWO-PULSE PHOTON ECHOES FROM ZINC-MESO-TETRAPHENYLPORPHINE/ POLYMETHYLMETHACRYLATE ARE NOT CONSISTENT WITH THE TUNNELING TWO-LEVEL SYSTEM MODEL

J. Skinner, Eitan Geva, 1998 .

On the Distribution of Single Molecule Line Widths in Low-Temperature Glasses

Eitan Geva, J. L. Skinner, 1996 .

On the Role of the Special Pair in Photosystems as a Charge Transfer Rectifier.

B. Dunietz, Eitan Geva, A. Schubert, 2020, The journal of physical chemistry. B.

Vibronic structure of photosynthetic pigments probed by polarized two-dimensional electronic spectroscopy and ab initio calculations

B. Dunietz, J. Ogilvie, Eitan Geva, 2019, Chemical science.

Enhancing charge mobilities in organic semiconductors by selective fluorination: a design approach based on a quantum mechanical perspective

R. Twieg, B. Dunietz, Eitan Geva, 2017, Chemical science.

Ultrafast Charge-Transfer Dynamics at the Boron Subphthalocyanine Chloride/C60 Heterojunction: Comparison between Experiment and Theory.

Daniel E. Wilcox, B. Dunietz, M. Shtein, 2015, The journal of physical chemistry letters.

Donor-to-Donor vs Donor-to-Acceptor Interfacial Charge Transfer States in the Phthalocyanine-Fullerene Organic Photovoltaic System.

B. Dunietz, Myeong H Lee, Eitan Geva, 2014, The journal of physical chemistry letters.

Calculation from First-Principles of Golden Rule Rate Constants for Photoinduced Subphthalocyanine/Fullerene Interfacial Charge Transfer and Recombination in Organic Photovoltaic Cells

B. Dunietz, Myeong H Lee, Eitan Geva, 2014 .

Calculation from First Principles of Intramolecular Golden-Rule Rate Constants for Photo-Induced Electron Transfer in Molecular Donor–Acceptor Systems

B. Dunietz, Myeong H Lee, Eitan Geva, 2013 .

Homogeneity and Markovity of electronic dephasing in liquid solutions.

Eitan Geva, Ming-Liang Zhang, Being J. Ka, 2006, The Journal of chemical physics.

A new approach to calculating the memory kernel of the generalized quantum master equation for an arbitrary system–bath coupling

Qiang Shi, Eitan Geva, Qiang Shi, 2003 .

Determining the solvation correlation function from three-pulse photon echoes in liquids

J. Skinner, Eitan Geva, K. Everitt, 2001 .

Vibrational energy relaxation in liquid HCl and DCl via the linearized semiclassical method: electrostriction versus quantum delocalization.

Eitan Geva, S. Talapatra, F. X. Vazquez, 2011, The journal of physical chemistry. A.

Comparison between the Landau-Teller and flux-flux methods for computing vibrational energy relaxation rate constants in the condensed phase.

Eitan Geva, I. Navrotskaya, 2007, The Journal of chemical physics.

On the calculation of vibrational energy relaxation rate constants from centroid molecular dynamics simulations

Qiang Shi, Eitan Geva, 2003 .

A computational study of the correlations between structure and dynamics in free and surface-immobilized single polymer chains.

Eitan Geva, J. Shang, 2005, The journal of physical chemistry. B.

Ab initio calculation of the electronic absorption of functionalized octahedral silsesquioxanes via time-dependent density functional theory with range-separated hybrid functionals.

Alexander S. Hyla, Shaohui Zheng, B. Dunietz, 2012, The journal of physical chemistry. A.

Conformational Structure and Dynamics from Single-Molecule FRET

Eitan Geva, J. Shang, 2009 .

Quantum Rate Theory: A Path Integral Centroid Perspective

Seogjoo J. Jang, G. Voth, Eitan Geva, 2005 .

Optical line shapes of single molecules in glasses: Temperature and scan-time dependence

J. Skinner, Eitan Geva, 1998 .

A relationship between semiclassical and centroid correlation functions

Qiang Shi, Eitan Geva, Qiang Shi, 2003 .

Heat engines in finite time governed by master equations

Peter Salamon, Ronnie Kosloff, Eitan Geva, 1996 .

A quantum-mechanical heat engine operating in finite time. A model consisting of spin-1/2 systems as the working fluid

Ronnie Kosloff, Eitan Geva, R. Kosloff, 1992 .

The quantum heat engine and heat pump: An irreversible thermodynamic analysis of the three-level amplifier

Ronnie Kosloff, Eitan Geva, R. Kosloff, 1996 .

Intersystem Crossing in Tetrapyrrolic Macrocycles. A First-Principles Analysis

B. Dunietz, Eitan Geva, A. Schubert, 2021 .

A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville method.

Qiang Shi, Eitan Geva, 2009, The Journal of chemical physics.

Simulating the dynamics of electronic observables via reduced-dimensionality generalized quantum master equations.

Eitan Geva, Ellen Mulvihill, 2022, The Journal of chemical physics.

A modified approach for simulating electronically nonadiabatic dynamics via the generalized quantum master equation.

Xiang Sun, Ellen Mulvihill, Alexander Schubert, 2019, The Journal of chemical physics.

Accurate Long-Time Mixed Quantum-Classical Liouville Dynamics via the Transfer Tensor Method.

Jianshu Cao, Alexei A Kananenka, Eitan Geva, 2016, The journal of physical chemistry letters.

Nonequilibrium quantum dynamics in the condensed phase via the generalized quantum master equation.

Ming-Liang Zhang, Eitan Geva, Eitan Geva, 2006, The Journal of chemical physics.

Semiclassical Theory of Vibrational Energy Relaxation in the Condensed Phase

Qiang Shi, Eitan Geva, 2003 .

Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Cavity-Modified Molecular Dynamics.

Maximilian A C Saller, Eitan Geva, Aaron Kelly, 2021, The journal of physical chemistry letters.

Fundamental Gaps of Condensed-Phase Organic Semiconductors from Single-Molecule Calculations using Polarization-Consistent Optimally Tuned Screened Range-Separated Hybrid Functionals.

L. Kronik, B. Dunietz, M. Cheung, 2018, Journal of chemical theory and computation.

Two-Dimensional Infrared Spectroscopy of Metal Carbonyls

Carlos R. Baiz, Eitan Geva, Jessica M. Anna, 2010 .

Improving the Accuracy of Quasiclassical Mapping Hamiltonian Methods by Treating the Window Function Width as an Adjustable Parameter.

Eitan Geva, Xing Gao, 2020, Journal of Physical Chemistry A.

On the irreversible performance of a quantum heat engine

Eitan Geva, Eitan Geva, 2002 .

On the relaxation of a two-level system driven by a strong electromagnetic field

R. Kosloff, J. Skinner, Eitan Geva, 1995 .

A derivation of the mixed quantum-classical Liouville equation from the influence functional formalism.

Qiang Shi, Eitan Geva, Qiang Shi, 2004, The Journal of chemical physics.

On the Interplay between Electronic Structure and Polarizable Force Fields When Calculating Solution-Phase Charge-Transfer Rates.

B. Dunietz, M. Cheung, Jaebeom Han, 2020, Journal of chemical theory and computation.

Charge transfer rate constants for the carotenoid-porphyrin-C60 molecular triad dissolved in tetrahydrofuran: The spin-boson model vs the linearized semiclassical approximation.

B. Dunietz, M. Cheung, Eitan Geva, 2020, The Journal of chemical physics.

A comparison between different semiclassical approximations for optical response functions in nonpolar liquid solution. II. The signature of excited state dynamics on two-dimensional spectra.

Qiang Shi, Eitan Geva, 2008, The Journal of chemical physics.

The influence of nonbilinear system-bath coupling on quantum-mechanical activated rate processes

Eitan Geva, I. Navrotskaya, 2006 .

Quantum‐mechanical reaction rate constants from centroid molecular dynamics simulations: Barrier crossing in an asymmetrical double‐well

Qiang Shi, Eitan Geva, I. Navrotskaya, 2002 .

Centroid-based methods for calculating quantum reaction rate constants: Centroid sampling versus centroid dynamics

Qiang Shi, Eitan Geva, 2002 .

Quantum-mechanical reaction rate constants from centroid molecular dynamics simulations

Qiang Shi, G. Voth, Eitan Geva, 2001 .

Electronic dynamics through conical intersections via quasi-classical mapping Hamiltonian methods.

Eitan Geva, Xing Gao, Ellen Mulvihill, 2020, Journal of chemical theory and computation.

Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics.

Maximilian A C Saller, Jeremy O. Richardson, Eitan Geva, 2020, Journal of chemical theory and computation.

Stimulated Raman adiabatic passage in the presence of dephasing

Qiang Shi, Eitan Geva, Qiang Shi, 2003 .

Cavity-Modified Fermi’s Golden Rule Rate Constants from Cavity-Free Inputs

Maximilian A C Saller, Eitan Geva, Y. Lai, 2023, The Journal of Physical Chemistry C.

Optimization of laser-driven intramolecular hydrogen transfer in the presence of dephasing

Eitan Geva, 2002 .

Three-state harmonic models for photoinduced charge transfer.

B. Dunietz, Eitan Geva, Xiang Sun, 2021, The Journal of chemical physics.

A benchmark study of different methods for calculating one- and two-dimensional optical spectra.

Eitan Geva, Porscha L McRobbie, 2009, The journal of physical chemistry. A.

Multidimensional spectra via the mixed quantum-classical Liouville method: signatures of nonequilibrium dynamics.

G. Hanna, Eitan Geva, 2009, The journal of physical chemistry. B.

Vibrational energy relaxation of polyatomic molecules in liquid solution via the linearized semiclassical method.

Eitan Geva, Being J. Ka, 2006, The journal of physical chemistry. A.

Molecular theory and simulation of coherence transfer in metal carbonyls and its signature on multidimensional infrared spectra.

Carlos R. Baiz, Eitan Geva, K. Kubarych, 2011, The journal of physical chemistry. B.

Mapping Molecular Hamiltonians into Hamiltonians of Modular cQED Processors.

S. Kais, V. Batista, Kenneth A Jung, 2023, Journal of chemical theory and computation.

Nonradiative Electronic Relaxation Rate Constants from Approximations Based on Linearizing the Path-Integral Forward−Backward Action

Qiang Shi, Eitan Geva, 2004 .

On the second-order corrections to the quantum canonical equilibrium density matrix

D. Tannor, Eitan Geva, Efrat Rosenman, 2000 .

Two-state dynamics of single biomolecules in solution

Eitan Geva, Eitan Geva, Jack L. Skinner, 1998 .

Single molecule spectral trajectories in low-temperature glasses

Eitan Geva, J. L. Skinner, 1998 .

Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations.

S. Kais, V. Batista, Eitan Geva, 2023, Journal of chemical theory and computation.

Single-molecule spectroscopy, photon echoes, and hole burning in low-temperature glasses

Eitan Geva, J. L. Skinner, 1998 .

Correlating Interfacial Charge Transfer Rates with Interfacial Molecular Structure in the Tetraphenyldibenzoperiflanthene/C70 Organic Photovoltaic System.

B. Dunietz, M. Cheung, Eitan Geva, 2022, The journal of physical chemistry letters.

Two-dimensional infrared spectroscopy of dimanganese decacarbonyl and its photoproducts: an ab initio study.

Carlos R. Baiz, Eitan Geva, K. Kubarych, 2009, Journal of Physical Chemistry A.

Signatures of nonequilibrium solvation dynamics on multidimensional spectra.

Qiang Shi, G. Hanna, Eitan Geva, 2009, Accounts of chemical research.

The Effect of Interfacial Geometry on Charge-Transfer States in the Phthalocyanine/Fullerene Organic Photovoltaic System.

B. Dunietz, Myeong H Lee, Eitan Geva, 2016, The journal of physical chemistry. A.

A Computational Study of the Electronic Energy and Charge Transfer Rates and Pathways in the Tetraphenyldibenzoperiflanthene/Fullerene Interfacial Dyad.

B. Dunietz, Eitan Geva, A. Schubert, 2023, The journal of physical chemistry letters.

Vibrational energy relaxation rates of H2 and D2 in liquid argon via the linearized semiclassical method.

Eitan Geva, I. Navrotskaya, 2007, The journal of physical chemistry. A.

Vibrational energy relaxation rates via the linearized semiclassical approximation: applications to neat diatomic liquids and atomic-diatomic liquid mixtures.

Qiang Shi, Eitan Geva, Being J. Ka, 2005, The journal of physical chemistry. A.

Vibrational energy relaxation in liquid oxygen from a semiclassical molecular dynamics simulation

Qiang Shi, Eitan Geva, 2003 .

Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations.

S. Kais, Eitan Geva, Ningyi Lyu, 2022, Journal of chemical theory and computation.

Three-level quantum amplifier as a heat engine: A study in finite-time thermodynamics.

Geva, Kosloff, R. Kosloff, 1994, Physical review. E, Statistical physics, plasmas, fluids, and related interdisciplinary topics.

Vibrational lifetimes of cyanide ion in aqueous solution from molecular dynamics simulations: intermolecular vs intramolecular accepting modes.

Eitan Geva, S. Talapatra, 2014, The journal of physical chemistry. B.

Nonequilibrium Fermi's Golden Rule Charge Transfer Rates via the Linearized Semiclassical Method.

Eitan Geva, Xiang Sun, 2016, Journal of chemical theory and computation.

Isotope effects on the vibrational relaxation and multidimensional infrared spectra of the hydrogen stretch in a hydrogen-bonded complex dissolved in a polar liquid.

G. Hanna, Eitan Geva, 2008, The journal of physical chemistry. B.

Simulating Chemistry on Bosonic Quantum Devices

Daniel A. Lidar, Heidi P. Hendrickson, Scott E. Smart, 2024, 2404.10214.

Combining the generalized quantum master equation approach with quasiclassical mapping Hamiltonian methods to simulate the dynamics of electronic coherences.

Eitan Geva, Ellen Mulvihill, Yudan Liu, 2024, The Journal of chemical physics.

On simulating the dynamics of electronic populations and coherences via quantum master equations based on treating off-diagonal electronic coupling terms as a small perturbation.

Eitan Geva, Y. Lai, 2021, The Journal of chemical physics.