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Ellen Mulvihill - Publications

Affiliations: 
University of Michigan, Ann Arbor, Ann Arbor, MI 
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9 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Wang Y, Mulvihill E, Hu Z, Lyu N, Shivpuje S, Liu Y, Soley MB, Geva E, Batista VS, Kais S. Simulating Open Quantum System Dynamics on NISQ Computers with Generalized Quantum Master Equations. Journal of Chemical Theory and Computation. PMID 37233199 DOI: 10.1021/acs.jctc.3c00316  0.771
2023 Lyu N, Mulvihill E, Soley MB, Geva E, Batista VS. Tensor-Train Thermo-Field Memory Kernels for Generalized Quantum Master Equations. Journal of Chemical Theory and Computation. PMID 36719350 DOI: 10.1021/acs.jctc.2c00892  0.765
2022 Mulvihill E, Geva E. Simulating the dynamics of electronic observables via reduced-dimensionality generalized quantum master equations. The Journal of Chemical Physics. 156: 044119. PMID 35105072 DOI: 10.1063/5.0078040  0.657
2021 Mulvihill E, Geva E. A Road Map to Various Pathways for Calculating the Memory Kernel of the Generalized Quantum Master Equation. The Journal of Physical Chemistry. B. 125: 9834-9852. PMID 34424700 DOI: 10.1021/acs.jpcb.1c05719  0.717
2021 Mulvihill E, Lenn KM, Gao X, Schubert A, Dunietz BD, Geva E. Simulating energy transfer dynamics in the Fenna-Matthews-Olson complex via the modified generalized quantum master equation. The Journal of Chemical Physics. 154: 204109. PMID 34241158 DOI: 10.1063/5.0051101  0.635
2020 Liu Y, Gao X, Lai Y, Mulvihill E, Geva E. Electronic dynamics through conical intersections via quasi-classical mapping Hamiltonian methods. Journal of Chemical Theory and Computation. PMID 32421321 DOI: 10.1021/Acs.Jctc.0C00177  0.693
2019 Mulvihill E, Gao X, Liu Y, Schubert A, Dunietz BD, Geva E. 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. PMID 31438690 DOI: 10.1063/1.5110891  0.754
2019 Mulvihill E, Schubert A, Sun X, Dunietz BD, Geva E. A modified approach for simulating electronically nonadiabatic dynamics via the generalized quantum master equation. The Journal of Chemical Physics. 150: 034101. PMID 30660163 DOI: 10.1063/1.5055756  0.801
2017 Jafari M, Welden AR, Williams KL, Winograd B, Mulvihill E, Hendrickson HP, Lenard M, Gottfried A, Geva E. Compute-to-Learn: Authentic Learning via Development of Interactive Computer Demonstrations within a Peer-Led Studio Environment Journal of Chemical Education. 94: 1896-1903. DOI: 10.1021/Acs.Jchemed.7B00032  0.687
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