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Journal of Chemical Theory and Computation|February 14, 2025
Simulating Non-Markovian Quantum Dynamics on NISQ Computers Using the Hierarchical Equations of MotionXiaohan Dan, Eitan Geva, Victor S BatistaThe Journal of Physical Chemistry Letters|September 12, 2024
Simulating Cavity-Modified Electron Transfer Dynamics on NISQ ComputersNingyi Lyu, Pouya Khazaei, Eitan Geva, et al.Journal of Chemical Theory and Computation|January 31, 2023
Tensor-Train Thermo-Field Memory Kernels for Generalized Quantum Master EquationsNingyi Lyu, Ellen Mulvihill, Micheline B Soley, et al.The Journal of Chemical Physics|January 14, 2026
Nonadiabatic H-atom scattering channels on Ge(111) elucidated by the hierarchical equations of motionXiaohan Dan, Zhuoran Long, Tianyin Qiu, et al.The Journal of Physical Chemistry. B|January 31, 2012
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 lifetimeKijeong Kwac, Eitan GevaThe Journal of Chemical Physics|July 24, 2009
A self-consistent treatment of electron transfer in the limit of strong friction via the mixed quantum classical Liouville methodQiang Shi, Eitan GevaThe Journal of Chemical Physics|July 23, 2004
A semiclassical generalized quantum master equation for an arbitrary system-bath couplingQiang Shi, Eitan GevaThe Journal of Chemical Physics|August 11, 2007
Comparison between the Landau-Teller and flux-flux methods for computing vibrational energy relaxation rate constants in the condensed phaseIrina Navrotskaya, Eitan GevaJournal of Chemical Theory and Computation|April 30, 2016
Nonequilibrium Fermi's Golden Rule Charge Transfer Rates via the Linearized Semiclassical MethodXiang Sun, Eitan GevaThe Journal of Chemical Physics|July 3, 2016
Non-Condon equilibrium Fermi's golden rule electronic transition rate constants via the linearized semiclassical methodXiang Sun, Eitan GevaPageof 42