Nandini Ananth
Associate Professor
Publications
- M. S. Church, T. J. H. Hele, G. S. Ezra, and N. Ananth. "Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation", J. Chem. Phys., 148, 102326 (2018).
- S. Pierre, J. R. Duke, T.J.H. Hele, and N. Ananth. "A Mapping Variable Ring Polymer Molecular Dynamics study of Condensed Phase Proton-Coupled Electron Transfer", J. Chem. Phys., 147, 234103 (2017).
- M. S. Church, S. V. Antipov and N. Ananth, "Validating and Implementing Modified Filinov Phase Filtration in Semiclassical Dynamics", J. Chem. Phys. 146, 234104 (2017).
- R. L. Kenion and N. Ananth, "Direct Simulation of Electron Transfer in the Cobalt Hexammine(II/III) Self-Exchange Reaction", Phys. Chem. Chem. Phys. 18, 26117 (2016)
- E. G. Fuemmeler, S. N. Sanders, A. B. Pun, E. Kumarasamy, T. Zeng, K. Miyata, M. L. Steigerwald, X.-Y. Zhu, M. Y. Sfeir, L. M. Campos, and N. Ananth, "A Direct Mechanism of Ultrafast Intramolecular Singlet Fission in Pentacene Dimers", ACS Cent. Sci. 2, 316-324 (2016)
- J. R. Duke and N. Ananth, "Simulating Excited State Dynamics in Systems with Multiple Avoided Crossings Using Mapping Variable Ring Polymer Molecular Dynamics", J. Phys. Chem. Lett., 6, 4219-4223 (2015).
- S. V. Antipov, Z. Ye, and N. Ananth, "Dynamically consistent method for mixed quantum-classical simulations: A semiclassical approach", J. Chem. Phys. 142, 184102 (2015).
- T. Zeng, R. Hoffmann, and N. Ananth, "The low-lying electronic states of pentacene and their roles in singlet fission", J. Am. Chem. Soc. 136, 5755 (2014).
- N. Ananth, "Mapping variable ring polymer molecular dynamics: A path-integral based method for nonadiabatic processes", J. Chem. Phys. 139, 124102 (2013)
