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| Liu Y, Mulvihill E, Geva E. (2024) Combining the generalized quantum master equation approach with quasiclassical mapping Hamiltonian methods to simulate the dynamics of electronic coherences. The Journal of Chemical Physics. 161 |
| Wang Y, Mulvihill E, Hu Z, et al. (2023) Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations. Journal of Chemical Theory and Computation |
| Liu Y, Gao X, Lai Y, et al. (2020) Electronic dynamics through conical intersections via quasi-classical mapping Hamiltonian methods. Journal of Chemical Theory and Computation |
| Gao X, Sallerr MAC, Liu Y, et al. (2020) Benchmarking Quasiclassical Mapping Hamiltonian Methods for Simulating Electronically Nonadiabatic Molecular Dynamics. Journal of Chemical Theory and Computation |
| Mulvihill E, Gao X, Liu Y, et al. (2019) Combining the mapping Hamiltonian linearized semiclassical approach with the generalized quantum master equation to simulate electronically nonadiabatic molecular dynamics. The Journal of Chemical Physics. 151: 074103 |