These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.
6. Simulating energy transfer dynamics in the Fenna-Matthews-Olson complex via the modified generalized quantum master equation. Mulvihill E; Lenn KM; Gao X; Schubert A; Dunietz BD; Geva E J Chem Phys; 2021 May; 154(20):204109. PubMed ID: 34241158 [TBL] [Abstract][Full Text] [Related]
7. Accurate nonadiabatic quantum dynamics on the cheap: making the most of mean field theory with master equations. Kelly A; Brackbill N; Markland TE J Chem Phys; 2015 Mar; 142(9):094110. PubMed ID: 25747064 [TBL] [Abstract][Full Text] [Related]
8. Simulating the dynamics of electronic observables via reduced-dimensionality generalized quantum master equations. Mulvihill E; Geva E J Chem Phys; 2022 Jan; 156(4):044119. PubMed ID: 35105072 [TBL] [Abstract][Full Text] [Related]
9. Generalized quantum master equations can improve the accuracy of semiclassical predictions of multitime correlation functions. Sayer T; Montoya-Castillo A J Chem Phys; 2024 Jul; 161(1):. PubMed ID: 38949578 [TBL] [Abstract][Full Text] [Related]
10. A Road Map to Various Pathways for Calculating the Memory Kernel of the Generalized Quantum Master Equation. Mulvihill E; Geva E J Phys Chem B; 2021 Sep; 125(34):9834-9852. PubMed ID: 34424700 [TBL] [Abstract][Full Text] [Related]
11. A semiclassical generalized quantum master equation for an arbitrary system-bath coupling. Shi Q; Geva E J Chem Phys; 2004 Jun; 120(22):10647-58. PubMed ID: 15268091 [TBL] [Abstract][Full Text] [Related]
12. Generalized quantum master equations in and out of equilibrium: When can one win? Kelly A; Montoya-Castillo A; Wang L; Markland TE J Chem Phys; 2016 May; 144(18):184105. PubMed ID: 27179469 [TBL] [Abstract][Full Text] [Related]
13. Nonadiabatic Dynamics in Atomistic Environments: Harnessing Quantum-Classical Theory with Generalized Quantum Master Equations. Pfalzgraff WC; Kelly A; Markland TE J Phys Chem Lett; 2015 Dec; 6(23):4743-8. PubMed ID: 26563917 [TBL] [Abstract][Full Text] [Related]
14. Benchmarking various nonadiabatic semiclassical mapping dynamics methods with tensor-train thermo-field dynamics. Liu Z; Lyu N; Hu Z; Zeng H; Batista VS; Sun X J Chem Phys; 2024 Jul; 161(2):. PubMed ID: 38980091 [TBL] [Abstract][Full Text] [Related]
16. Convergence of high order memory kernels in the Nakajima-Zwanzig generalized master equation and rate constants: Case study of the spin-boson model. Xu M; Yan Y; Liu Y; Shi Q J Chem Phys; 2018 Apr; 148(16):164101. PubMed ID: 29716231 [TBL] [Abstract][Full Text] [Related]
17. Resummed memory kernels in generalized system-bath master equations. Mavros MG; Van Voorhis T J Chem Phys; 2014 Aug; 141(5):054112. PubMed ID: 25106575 [TBL] [Abstract][Full Text] [Related]